4-{[2-(adamantan-1-yl)ethyl]amino}-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[2-(adamantan-1-yl)ethyl]amino}-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
4-{[2-(adamantan-1-yl)ethyl]amino}-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8016-4883 |
| Compound Name: | 4-{[2-(adamantan-1-yl)ethyl]amino}-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C25 H35 N O3 |
| Smiles: | CC(C(Cc1ccc(C)cc1)C(NCCC12CC3CC(CC(C3)C2)C1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7188 |
| logD: | 2.3096 |
| logSw: | -4.3916 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.935 |
| InChI Key: | DPGYGRXEBIESJS-UHFFFAOYSA-N |