(2E,4E,8E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide
PubChem CID: 101936592
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,8E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H31NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMYRBCZBTQDJHF-FINOOKRKSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.584 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.325 |
| Compound Name | (2E,4E,8E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.235 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.8250962 |
| Inchi | InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8+,13-12+,15-14+ |
| Smiles | CCCCC/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients