2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8014-2891 |
| Compound Name: | 2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C24 H35 N O4 |
| Smiles: | CCCC(C1=C(CC(C)(C)CC1=O)NCCc1ccc(c(c1)OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6623 |
| logD: | 3.5907 |
| logSw: | -3.7639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.231 |
| InChI Key: | JMFOEFOEZDQWSB-UHFFFAOYSA-N |