N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutanamide
Compound characteristics
| Compound ID: | Y030-5611 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutanamide |
| Molecular Weight: | 249.31 |
| Molecular Formula: | C14 H19 N O3 |
| Smiles: | CCC(C)(C)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1035 |
| logD: | 3.1035 |
| logSw: | -3.1047 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.039 |
| InChI Key: | AHKIVRDSNAJKOX-UHFFFAOYSA-N |