N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide
PubChem CID: 3064530
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| Topological Polar Surface Area | 58.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C26H39NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAQVNHWNJRZYDE-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.577 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.495 |
| Compound Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 413.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 413.293 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 413.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -6.0827324 |
| Inchi | InChI=1S/C26H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h4-5,7-8,10-11,19-21,28H,3,6,9,12-18,22H2,1-2H3,(H,27,29) |
| Smiles | CCC=CCC=CCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients