Hazaleamide
PubChem CID: 6439588
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| Compound Synonyms | Hazaleamide, 81427-15-8, (2E,4E,8Z,11Z)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide, 2,4,8,11-Tetradecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,Z)-, (2E,4E,8Z,11Z)-N-((2S)-Butan-2-yl)tetradeca-2,4,8,11-tetraenimidate, (2E,4E,8Z,11Z)-N-[(2S)-Butan-2-yl]tetradeca-2,4,8,11-tetraenimidate, C18H29NO, (2E,4E,8Z,11Z)-N-Isobutyltetradeca-2,4,8,11-tetraenamide, N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide |
|---|---|
| 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 | CC/C=CC/C=CCC/C=C/C=C/C=O)NCCC)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,8Z,11Z)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H29NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFRGJIVWBMOBIT-GTDPEVRFSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -3.408 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.492 |
| Synonyms | hazaleamide |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C/C(=O)NC, C/C=CC |
| Compound Name | Hazaleamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 275.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.225 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 275.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.226703199999999 |
| Inchi | InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5-,9-8-,13-12+,15-14+ |
| Smiles | CC/C=C\C/C=C\CC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:ISBN:9788185042145