2-(3-methylphenoxy)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}acetamide
Chemical Structure Depiction of
2-(3-methylphenoxy)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}acetamide
2-(3-methylphenoxy)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}acetamide
Compound characteristics
| Compound ID: | S233-2017 |
| Compound Name: | 2-(3-methylphenoxy)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}acetamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(COc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1193 |
| logD: | 3.1193 |
| logSw: | -3.0688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.479 |
| InChI Key: | MNDPWUHFZJXPNM-NQIIRXRSSA-N |