1-butyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-butyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
1-butyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y032-4314 |
| Compound Name: | 1-butyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C16 H21 N3 O4 |
| Smiles: | CCCCN1CC(CC1=O)C(Nc1ccc(cc1C)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0758 |
| logD: | 2.0573 |
| logSw: | -2.8546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.459 |
| InChI Key: | XYBMEMXWGDTQBW-LBPRGKRZSA-N |