TL;DR: N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide (CAS 139259-98-6) is a chemical compound with molecular formula C16H14N2O6 and molecular weight 330.08517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[benzoyl-[(4-nitrophenyl)methoxy]amino] acetate
Also Known As: N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide, Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-, N-(Acetyloxy)-N-((4-nitrophenyl)methoxy)benzamide, N-Acetoxy-N-(4-nitrobenzyloxy)benzamide, [benzoyl-[(4-nitrophenyl)methoxy]amino] acetate
| Molecular Formula | C16H14N2O6 |
| Molecular Weight | 330.08517 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.08517 Da |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
| SMILES | CC(=O)ON(C(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BIPFSLROIPYVDR-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide. Following Lipinski's Rule of Five, N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide is 139259-98-6.
The molecular formula of N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide is C16H14N2O6.
The molecular weight of N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide is 330.08517 g/mol.
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