N-(13-Methyltetradecyl)acetamide
PubChem CID: 47346
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| Compound Synonyms | N-(13-Methyltetradecyl)acetamide, Capsiamide, Capsi-amide, 64317-66-4, CAP A, BRN 2442829, ACETAMIDE, N-(13-METHYLTETRADECYL)-, DTXSID30214537, N-(13-METHYLTETRADECYL)-ACETAMIDE, CAP-A, 72G4YW9VVM, SCHEMBL7829295, CHEBI:81149, DTXCID60137028, VWC03133, DB-243821, C17515, D86922, Q27155104 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | N-acyl amines |
| Deep Smiles | CCCCCCCCCCCCCCNC=O)C)))))))))))))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Constituent of fruit of hot pepper varieties of Capsicum annuum. Capsiamide is found in many foods, some of which are pepper (c. frutescens), orange bell pepper, yellow bell pepper, and italian sweet red pepper. |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(13-methyltetradecyl)acetamide |
| Prediction Hob | 1.0 |
| Class | Carboximidic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 6.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboximidic acids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H35NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMLDBWWQKYLAHJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9411764705882352 |
| Rotatable Bond Count | 13.0 |
| Synonyms | ACETAMIDE, N-(13-METHYLTETRADECYL)-, CAP-a, Capsi-amide, Capsiamide, N-(13-METHYLTETRADECYL)-acetamide, N-(13-Methyltetradecyl)acetamide, n-(13-methyltetradecyl) acetamide (capsiamide), n-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-trans-6-enamide (capsiamide) |
| Substituent Name | Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Carboximidic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CNC(C)=O |
| Compound Name | N-(13-Methyltetradecyl)acetamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.272 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 269.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.9493326 |
| Inchi | InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19) |
| Smiles | CC(C)CCCCCCCCCCCCNC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acetamides |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all