3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | Y032-0982 |
| Compound Name: | 3-methyl-N-(2-methyl-4-nitrophenyl)butanamide |
| Molecular Weight: | 236.27 |
| Molecular Formula: | C12 H16 N2 O3 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7949 |
| logD: | 2.7873 |
| logSw: | -3.1775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.071 |
| InChI Key: | ITXZNXVONIWDSH-UHFFFAOYSA-N |