N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | V022-3443 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C29 H32 N2 O4 |
| Smiles: | CC(C)CC(N(Cc1ccccc1C)c1ccc(CC(NCc2ccc3c(c2)OCO3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.526 |
| logD: | 5.526 |
| logSw: | -5.3824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.649 |
| InChI Key: | NVJBOTLVORFOKX-UHFFFAOYSA-N |