rel-(4aR,8aR)-N-butyl-1-(3-methylbutyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-butyl-1-(3-methylbutyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-butyl-1-(3-methylbutyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0859 |
| Compound Name: | rel-(4aR,8aR)-N-butyl-1-(3-methylbutyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 322.49 |
| Molecular Formula: | C19 H34 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(NCCCC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6219 |
| logD: | 3.6219 |
| logSw: | -3.5486 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.941 |
| InChI Key: | VQTVNCVQBISODI-LPHOPBHVSA-N |