(E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID: 11209134
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| Compound Synonyms | CHEMBL444650 |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H21NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJIOBHFHQZPYOX-INMULRNOSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.248 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.278 |
| Compound Name | (E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 311.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 311.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7988491565217393 |
| Inchi | InChI=1S/C19H21NO3/c1-22-17-11-9-16(10-12-17)18(23-2)14-20-19(21)13-8-15-6-4-3-5-7-15/h3-13,18H,14H2,1-2H3,(H,20,21)/b13-8+/t18-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H](CNC(=O)/C=C/C2=CC=CC=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all