1-(3,3-dimethylbutanoyl)-N-[rel-(1R,2R)-2-{4-methoxy-N-[(3-methylphenyl)methyl]benzamido}cyclohexyl]prolinamide
Chemical Structure Depiction of
1-(3,3-dimethylbutanoyl)-N-[rel-(1R,2R)-2-{4-methoxy-N-[(3-methylphenyl)methyl]benzamido}cyclohexyl]prolinamide
1-(3,3-dimethylbutanoyl)-N-[rel-(1R,2R)-2-{4-methoxy-N-[(3-methylphenyl)methyl]benzamido}cyclohexyl]prolinamide
Compound characteristics
| Compound ID: | V010-0858 |
| Compound Name: | 1-(3,3-dimethylbutanoyl)-N-[rel-(1R,2R)-2-{4-methoxy-N-[(3-methylphenyl)methyl]benzamido}cyclohexyl]prolinamide |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C33 H45 N3 O4 |
| Smiles: | Cc1cccc(CN(C(c2ccc(cc2)OC)=O)[C@@H]2CCCC[C@H]2NC([C@@H]2CCCN2C(CC(C)(C)C)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3114 |
| logD: | 5.3114 |
| logSw: | -5.2535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.221 |
| InChI Key: | KOGFWGMBFFWQQU-YTCPBCGMSA-N |