3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8014-2786 |
| Compound Name: | 3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C23 H33 N O4 |
| Smiles: | CCC(C1=C(CC(C)(C)CC1=O)NCCc1ccc(c(c1)OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9989 |
| logD: | 2.9273 |
| logSw: | -3.2225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.231 |
| InChI Key: | VLQHDVIPXGKNCC-UHFFFAOYSA-N |