rel-(4aR,8aR)-1-methyl-2-oxo-N-(3-phenylpropyl)octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-methyl-2-oxo-N-(3-phenylpropyl)octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-methyl-2-oxo-N-(3-phenylpropyl)octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0482 |
| Compound Name: | rel-(4aR,8aR)-1-methyl-2-oxo-N-(3-phenylpropyl)octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C20 H28 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(NCCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7482 |
| logD: | 2.7482 |
| logSw: | -3.0866 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.456 |
| InChI Key: | WVQMNZNGCMAKFX-PXNSSMCTSA-N |