methyl 3-[(3,3-dimethyl-5-oxocyclohex-1-en-1-yl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(3,3-dimethyl-5-oxocyclohex-1-en-1-yl)amino]benzoate
methyl 3-[(3,3-dimethyl-5-oxocyclohex-1-en-1-yl)amino]benzoate
Compound characteristics
| Compound ID: | 8009-1978 |
| Compound Name: | methyl 3-[(3,3-dimethyl-5-oxocyclohex-1-en-1-yl)amino]benzoate |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | CC1(C)CC(CC(=C1)Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2112 |
| logD: | 3.2073 |
| logSw: | -3.3351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.44 |
| InChI Key: | BSILYWFVRTVSBH-UHFFFAOYSA-N |