N-Vanillyloctanamide
PubChem CID: 5316427
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| Compound Synonyms | N-VANILLYLOCTANAMIDE, 58493-47-3, N-Vanillyl octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide, caprylic acid vanillylamide, CW938J9KNR, n-(4-hydroxy-3-methoxybenzyl)octanamide, N-((4-Hydroxy-3-methoxyphenyl)methyl)octanamide, Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, Octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-, N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide (N-Vanillyloctanamide), N-Vanillyl-Octanamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-octanamide, N-Vanillyloctanamide, UNII-CW938J9KNR, CHEMBL86443, SCHEMBL1155739, OCTANAMIDE, N-VANILLYL-, CHEBI:173991, NSC818740, AKOS028111783, FS-7311, NSC-818740, BRN 2944990, DB-255848, 3-13-00-02190 (Beilstein Handbook Reference), EN300-18428278, N-((4-Hydroxy-3-methoxyphenyl)methyl)-Octanamide, N-[(4-hydroxy-3-methoxyphenyl)-methyl]-octaylamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide, 9CI, Z373586942 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of red pepper (Capsicum annuum). N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide is found in many foods, some of which are green bell pepper, orange bell pepper, italian sweet red pepper, and yellow bell pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYZDUDMWJFJCON-UHFFFAOYSA-N |
| Fcsp3 | 0.5625 |
| Logs | -3.106 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.313 |
| Synonyms | N-((4-Hydroxy-3-methoxyphenyl)methyl)-octanamide, N-((4-Hydroxy-3-methoxyphenyl)methyl)octanamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide, 9CI, N-vanillyl octanamide, N-Vanillyl-octanamide, Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, Octanamide, n-vanillyl- |
| Compound Name | N-Vanillyloctanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.183 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 279.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4051559999999994 |
| Inchi | InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19) |
| Smiles | CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Strophanthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all