N-[3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
N-[3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 1501-1261 |
| Compound Name: | N-[3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | CCCCNC(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9923 |
| logD: | 2.6948 |
| logSw: | -3.9732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.071 |
| InChI Key: | JPTIMOLZRQXLRG-UHFFFAOYSA-N |