(E)-N-[2-(4-hydroxy-2-methoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID: 16657780
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL5328128 |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-(4-hydroxy-2-methoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FADKCPNHKVEUDT-RUDMXATFSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.912 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.983 |
| Compound Name | (E)-N-[2-(4-hydroxy-2-methoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7888755565217394 |
| Inchi | InChI=1S/C18H19NO4/c1-23-17-12-16(21)8-5-14(17)10-11-19-18(22)9-4-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-4+ |
| Smiles | COC1=C(C=CC(=C1)O)CCNC(=O)/C=C/C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Californica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hemerocallis Longituba (Plant) Rel Props:Source_db:cmaup_ingredients