N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-methylbutanamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-methylbutanamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-methylbutanamide
Compound characteristics
| Compound ID: | S639-0384 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-methylbutanamide |
| Molecular Weight: | 317.47 |
| Molecular Formula: | C19 H31 N3 O |
| Smiles: | CC(C)CC(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)=O |
| Stereo: | RELATIVE |
| logP: | 2.322 |
| logD: | 0.1977 |
| logSw: | -2.6538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | MHVHVIWOPJKQSR-ROUUACIJSA-N |