3,3-dimethyl-N-(2-methyl-4-nitrophenyl)butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-(2-methyl-4-nitrophenyl)butanamide
3,3-dimethyl-N-(2-methyl-4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | Y032-0980 |
| Compound Name: | 3,3-dimethyl-N-(2-methyl-4-nitrophenyl)butanamide |
| Molecular Weight: | 250.3 |
| Molecular Formula: | C13 H18 N2 O3 |
| Smiles: | Cc1cc(ccc1NC(CC(C)(C)C)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2286 |
| logD: | 3.2169 |
| logSw: | -3.3285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.071 |
| InChI Key: | NIMYJJLXJWPXHX-UHFFFAOYSA-N |