N-{2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}-beta-alanine
N-{2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}-beta-alanine
Compound characteristics
| Compound ID: | 8015-9074 |
| Compound Name: | N-{2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}-beta-alanine |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CCOc1ccc(CC(C2=C(CC(C)(C)CC2=O)NCCC(O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.7236 |
| logD: | -0.972 |
| logSw: | -2.0986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.615 |
| InChI Key: | LYGHHSBQDIOZKZ-UHFFFAOYSA-N |