(2e,4e,8z)-N-isobutylicosa-2,4,8-trienamide
PubChem CID: 129753325
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| Compound Synonyms | DTXSID901213219, (2e,4e,8z)-N-isobutylicosa-2,4,8-trienamide, 2,4,8-Eicosatrienamide, N-(2-methylpropyl)-, (E,E,Z)-, 64543-30-2 |
|---|---|
| Ghose Rule | False |
| 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 | CCCCCCCCCCC/C=CCC/C=C/C=C/C=O)NCCC)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,8Z)-N-(2-methylpropyl)icosa-2,4,8-trienamide |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H43NO |
| Inchi Key | WBBCNGSATYECFE-DMJZPDMHSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | n-isobutyl-2e,4e,8z-eicosatrienamide |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C=C/C(=O)NC, C/C=CC |
| Compound Name | (2e,4e,8z)-N-isobutylicosa-2,4,8-trienamide |
| Exact Mass | 361.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.334 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 361.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20+ |
| Smiles | CCCCCCCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:ISBN:9788171360536