(e)-N-(2-hydroxy-2-(4-hydroxyphenyl) ethyl)-3-(3-hydroxy-4-methoxyphenyl)acrylamide
PubChem CID: 70681748
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| Compound Synonyms | CHEMBL2036084, (e)-N-(2-hydroxy-2-(4-hydroxyphenyl) ethyl)-3-(3-hydroxy-4-methoxyphenyl)acrylamide |
|---|---|
| Topological Polar Surface Area | 99.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YMUNILWOTSCYLI-YCRREMRBSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.606 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.756 |
| Compound Name | (e)-N-(2-hydroxy-2-(4-hydroxyphenyl) ethyl)-3-(3-hydroxy-4-methoxyphenyl)acrylamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1726824000000002 |
| Inchi | InChI=1S/C18H19NO5/c1-24-17-8-2-12(10-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=O)NCC(C2=CC=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Solanum Violaceum (Plant) Rel Props:Source_db:cmaup_ingredients