(2E,4E,10Z)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
PubChem CID: 71665601
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| Compound Synonyms | Compound NP-016582, CHEMBL2333559, AKOS040738592 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,10Z)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C20H35NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJFBVQUFPMOHQK-YXGHSTMBSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.629 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.721 |
| Compound Name | (2E,4E,10Z)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.272 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 305.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.330237200000001 |
| Inchi | InChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h8-9,14-17,19H,4-7,10-13,18H2,1-3H3,(H,21,22)/b9-8-,15-14+,17-16+ |
| Smiles | CCCCC/C=C\CCCC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients