N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpropanamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | S639-0431 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 303.45 |
| Molecular Formula: | C18 H29 N3 O |
| Smiles: | CC(C)C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7033 |
| logD: | -0.421 |
| logSw: | -2.0185 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.699 |
| InChI Key: | JLLXCEMSDRZAIW-IRXDYDNUSA-N |