N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID: 6482976
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-tembamide, (+)-Tembamide, CHEMBL453171, N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide, Benzamide, N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]- |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NICURWGAEFHESQ-OAHLLOKOSA-N |
| Fcsp3 | 0.1875 |
| Logs | -2.965 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.35 |
| Compound Name | N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1355591999999994 |
| Inchi | InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)/t15-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all