(2E,4E,8Z)-N-Isobutyldeca-2,4,8-trienamide
PubChem CID: 14427412
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL2011544, SCHEMBL1916844, 52657-13-3, BDBM50379797, (2E,4E,8Z)-N-Isobutyldeca-2,4,8-trienamide |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P37231, Q03181, Q07869 |
| Iupac Name | (2E,4E,8Z)-N-(2-methylpropyl)deca-2,4,8-trienamide |
| Prediction Hob | 1.0 |
| Target Id | NPT99, NPT106, NPT866 |
| Xlogp | 3.6 |
| Molecular Formula | C14H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | OCUXKVCDBHKIIP-QYHQRLDKSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.84 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.886 |
| Compound Name | (2E,4E,8Z)-N-Isobutyldeca-2,4,8-trienamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 221.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 221.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.2262327999999996 |
| Inchi | InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8+,11-10+ |
| Smiles | C/C=C\CC/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 Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all