(2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide
PubChem CID: 50994065
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| Compound Synonyms | CHEBI:70084, CHEMBL1669581, Q27138422, (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2E,4E)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]deca-2,4-dienamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEOWENGRGGSHMT-XBLVEGMJSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -3.366 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.473 |
| Compound Name | (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 317.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 317.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.491103278260868 |
| Inchi | InChI=1S/C19H27NO3/c1-3-4-5-6-7-8-9-10-19(22)20-14-13-16-11-12-17(21)18(15-16)23-2/h7-12,15,21H,3-6,13-14H2,1-2H3,(H,20,22)/b8-7+,10-9+ |
| Smiles | CCCCC/C=C/C=C/C(=O)NCCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Boehmeriaefolium (Plant) Rel Props:Source_db:npass_chem_all