ethyl 4-[4-(dimethylamino)-3-{[3-methyl-N-(2-methylpropyl)benzamido]methyl}anilino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[4-(dimethylamino)-3-{[3-methyl-N-(2-methylpropyl)benzamido]methyl}anilino]-4-oxobutanoate
ethyl 4-[4-(dimethylamino)-3-{[3-methyl-N-(2-methylpropyl)benzamido]methyl}anilino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V001-2449 |
| Compound Name: | ethyl 4-[4-(dimethylamino)-3-{[3-methyl-N-(2-methylpropyl)benzamido]methyl}anilino]-4-oxobutanoate |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C27 H37 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1ccc(c(CN(CC(C)C)C(c2cccc(C)c2)=O)c1)N(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.369 |
| logD: | 4.3561 |
| logSw: | -4.2025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.261 |
| InChI Key: | CGNBFWHXYSFMLA-UHFFFAOYSA-N |