N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethylbutanamido)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethylbutanamido)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethylbutanamido)benzamide
Compound characteristics
| Compound ID: | Y031-0009 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethylbutanamido)benzamide |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C21 H24 N2 O4 |
| Smiles: | CCC(CC)C(Nc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7202 |
| logD: | 3.7202 |
| logSw: | -3.8978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.13 |
| InChI Key: | KSYVQMZFVUVWOV-UHFFFAOYSA-N |