N-Isobutyl-2,4-eicosadienamide
PubChem CID: 6441067
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-Isobutyl-2,4-eicosadienamide, 54794-71-7, (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide, N-Isobutyl-2,4-icosadienamide, 2,4-Eicosadienamide, N-(2-methylpropyl)-, (E,E)-, SCHEMBL4447551, CHEMBL2347638, (2e,4e)-N-isobutyl-eicosadienamide, (2E,4E)-N-isobutylicosa-2,4-dienamide |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide |
| Prediction Hob | 0.0 |
| Xlogp | 9.8 |
| Molecular Formula | C24H45NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMZPUHBJSQVRHE-HYGARKJASA-N |
| Fcsp3 | 0.7916666666666666 |
| Logs | -5.128 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.909 |
| Compound Name | N-Isobutyl-2,4-eicosadienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 363.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.35 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 363.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.313605999999998 |
| Inchi | InChI=1S/C24H45NO/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/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all