Nonivamide
PubChem CID: 2998
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| Compound Synonyms | NONIVAMIDE, 2444-46-4, N-Vanillylnonanamide, Pseudocapsaicin, N-Vanillylnonamide, Pelargonic acid vanillylamide, N-(4-Hydroxy-3-methoxybenzyl)nonanamide, N-Vanillylpelargonamide, Nonanoic acid vanillylamide, N-Nonanoyl vanillylamide, Vanillyl pelargonic amide, Pelargonyl vanillylamide, Hydroxymethoxybenzyl pelargonamide, Vanillyl-N-nonylamide, Nonylic acid vanillylamide, Vanillyl n-nonoylamide, Nonivamida, Nonanamide, N-vanillyl-, Nonanoyl vanillylamide, Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-, FEMA No. 2787, Nonivamide [INN], Nonivamidum, Nonylvanylamide, Hansaplast, desmethyldihydrocapsaicin, NSC 172795, Nonanoyl 4-hydroxy-3-methoxybenzylamide, N-Vanillylnonanoamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide, PAVA, Vanillyl n-Nonylamide, Nonylic acid vanillyamide, Nonivamidum [INN-Latin], vanillylnonanamide, Nonivamida [INN-Spanish], EINECS 219-484-1, NSC-172795, UNII-S846B891OR, BRN 2144300, N-vanillyl nonanamide, CHEBI:46936, S846B891OR, AH-23491X, N-((4-Hydroxy-3-methoxyphenyl)methyl)nonanamide, N-((Hydroxy-3-methoxyphenyl)methyl)4-nonanamide, CHEMBL75124, DTXSID1034769, Nonivamide (INN), Nonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, NCGC00016089-05, Nonivamidum (INN-Latin), Nonivamida (INN-Spanish), NONIVAMIDE (MART.), NONIVAMIDE [MART.], DTXCID9014769, vanillylnonamide, Capsaicin synthetic, CAS-2444-46-4, 8-Nordihydrocapsaicin, N-vanillyl-nonanamide, Nonanoylvanillyl Amide, Capsaicin (Synthetic), N-((4-Hydroxy-3-methoxyphenyl)methyl)-Nonanamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-Nonanamide, N-Nonylvanylamide, Nonivamide, Pseudocapsaicin, PAVA, Pelargonic acid vallinylamide, Vanillyl N-nonylamide, PAVA spray, Hansaplast (TN), Nonylic vanillamide, Synthetic capsaicin, Nonoyl vanillylamide, MFCD00017286, PSVA, Nonivamide (Standard), Spectrum_000311, Pelargonoyl vanillylamide, SpecPlus_000799, N-Pelargonylvanillylamide, Spectrum2_001091, Spectrum4_000916, Spectrum5_001853, Lopac-V-9130, N-Vanillylnonanamide, 8CI, NONIVAMIDE [WHO-DD], Lopac0_001218, SCHEMBL81939, KBioGR_001412, KBioSS_000791, MLS002153373, DivK1c_006895, SPECTRUM2300192, SPBio_001162, N-Pelargonic Acid Vanillylamide, FEMA 2787, KBio1_001839, KBio2_000791, KBio2_003359, KBio2_005927, HH 50, HMS2234E23, HMS3374K02, HMS3885C14, Pharmakon1600-01506172, ALBB-025790, Tox21_110302, Tox21_301218, BDBM50044767, CCG-39764, HY-17568R, NSC172795, NSC760391, s3935, AKOS001719931, N-Vanillylnonanamide, >=97%, powder, Tox21_110302_1, AC-4807, DB11324, FC71174, NSC-760391, N-Vanillylnonanamide, analytical standard, NCGC00016089-01, NCGC00016089-02, NCGC00016089-03, NCGC00016089-04, NCGC00016089-06, NCGC00094463-01, NCGC00094463-02, NCGC00094463-03, NCGC00094463-04, NCGC00255553-01, AS-13519, HY-17568, SMR001230764, N-(4-Hydroxy-3-methoxybenzyl)nonanamide #, NONIVAMIDE (CONSTITUENT OF CAPSICUM), EU-0101218, M0900, Nonanamide, N-(4-hydroxy-3-methoxybenzyl)-, NS00002166, 4-Hydroxy-3-methoxy-N-(1-oxononyl)-Benzamide, D08282, V 9130, V-3000, AB00053157_06, EN300-1692889, N-NONANOYL-4-HYDROXY-3-METHOXYBENZYL-AMIDE, NONIVAMIDE (CONSTITUENT OF CAPSICUM) [DSC], Q420228, SR-01000076196, SR-01000076196-1, BRD-K05907307-001-07-1, N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide, 9CI, Z373586944, N-NONANOYL-4-HYDROXY-3-METHOXYBENZYL-AMIDE [FHFI], Nonivamide, European Pharmacopoeia (EP) Reference Standard, N-Vanillylnonanamide, N-(4-Hydroxy-3-methoxybenzyl)nonanamide, Pelargonic acid vanillylamide, N-Vanillylpelargonamide, Capsaicin (synthetic), Capsaicin synth., N-Vanillylpelargonamide, Nonylvanylamide, Pelargonic acid vanillylamide, 219-484-1 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Alkaloid from Capsicum subspecies Flavouring ingredient Nonivamide is an organic compound and a capsaicinoid. It is an amide of pelargonic acid and vanillylamine. It is present in chili peppers, but is commonly manufactured synthetically. It is more heat-stable than capsaicin. Nonivamide is found in many foods, some of which are yellow bell pepper, pepper (c. frutescens), orange bell pepper, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35433, n.a., P02791, P33261, P0A6C1, P00352, Q01453, P16050, P54132, P15428, P08482, P08684, P10635, P11712, Q96KQ7, P05177, Q9UNA4, Q96RI1, Q8NER1, O94925, Q9NUW8, P27695, P0DTD1, P10275, Q16236 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT213, NPT94, NPT796, NPT792, NPT58, NPT151, NPT109, NPT110, NPT212, NPT208 |
| Xlogp | 4.2 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C17H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGOVYLWUIBMPGK-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.266 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 3.582 |
| Synonyms | 4-Hydroxy-3-methoxy-N-(1-oxononyl)-benzamide, Benzamide, 4-hydroxy-3-methoxy-N-(1-oxononyl)-, FEMA 2787, HH 50, Hydroxymethoxybenzyl pelargonamide, N-((4-Hydroxy-3-methoxyphenyl)methyl)-nonanamide, N-((4-Hydroxy-3-methoxyphenyl)methyl)nonanamide, N-((Hydroxy-3-methoxyphenyl)methyl)4-nonanamide, N-(4-Hydroxy-3-methoxybenzyl)nonanamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-nonanamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide, 9CI, N-Nonanoyl vanillylamide, N-Vanillyl nonanamide, N-Vanillyl-nonanamide, N-Vanillylnonamide, N-Vanillylnonanamide, 8CI, N-Vanillylpelargonamide, Nonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-, Nonanamide, N-vanillyl-, Nonanoic acid vanillylamide, Nonanoyl 4-hydroxy-3-methoxybenzylamide, Nonanoyl vanillylamide, Nonoyl vanillylamide, Nonylic acid vanillylamide, Nonylvanylamide, Pelargonic acid vanillylamide, Pelargonoyl vanillylamide, Pelargonyl vanillylamide, Pseudocapsaicin, PSVA, Synthetic capsaicin, Vanillyl N-nonoylamide, Vanillyl pelargonic amide, Vanillyl-N-nonylamide, Hansaplast, Nonanoate vanillylamide, N-Vanillylnonanamide, 8ci, N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide, 9ci, N-Vanillylnonanamide, Vanillylnonanamide |
| Substituent Name | Methoxyphenol, Methoxybenzene, Phenylmethylamine, Phenol ether, Benzylamine, Anisole, Aralkylamine, Alkyl aryl ether, Fatty acyl, N-acyl-amine, Fatty amide, Secondary carboxylic acid amide, Carboxamide group, Ether, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Nonivamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.755751971428571 |
| Inchi | InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20) |
| Smiles | CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all