3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-(phenylacetyl)cyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-(phenylacetyl)cyclohex-2-en-1-one
3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-(phenylacetyl)cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8013-3553 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-(phenylacetyl)cyclohex-2-en-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C26 H31 N O4 |
| Smiles: | CC1(C)CC(=C(C(Cc2ccccc2)=O)C(C1)=O)NCCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6035 |
| logD: | 3.5726 |
| logSw: | -3.7649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.8 |
| InChI Key: | UZAAYBKYEAGWBT-UHFFFAOYSA-N |