3-amino-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-amino-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
3-amino-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-0748 |
| Compound Name: | 3-amino-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C20 H27 N O4 |
| Smiles: | CCOc1ccc(CC(C2=C(CC(C)(C)CC2=O)N)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.3068 |
| logD: | 2.3034 |
| logSw: | -2.4648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.857 |
| InChI Key: | PAFQWQACOGFKHS-UHFFFAOYSA-N |