N-Trans-Feruloyl Tyramine
Representations & DB's id
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| ChEBI: | CHEBI:17818 | |
|---|---|---|
| ChEMBL: | CHEMBL206555 | |
| PubChem: | 5280537 | |
| IUPAC: | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide | |
| Standard InChI: | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ | |
| Standard InChI Key: | NPNNKDMSXVRADT-WEVVVXLNSA-N | |
| SMILES: | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O | |
Molecular propeties
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| AlogP: | 2.48 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 313.13 | |
| Topological polar surface area: | 78.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |