![N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide structure](/static/products/166/166538-38-1.webp)
N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide
TL;DR: N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide (CAS 166538-38-1) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-nitrobenzamide
Also Known As: 2-(4-Nitrobenzoylamino)-2,3-dimethylbutanamide, AE-641/09373012, N-(1-Carbamoyl-1,2-dimethyl-propyl)-4-nitro-benzamide, N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide, Benzamide, N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-N-methyl-
Technical Specifications
| Molecular Formula | C13H17N3O4 |
| Molecular Weight | 279.12192 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12192 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | CC(C)C(C)(C(=O)N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DSNQKJVYEIFGLO-UHFFFAOYSA-N |
Chemical Property Profile of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide
Property Insights of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide?
The CAS number of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide is 166538-38-1.
What is the molecular formula of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide?
The molecular formula of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide is C13H17N3O4.
What is the molecular weight of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide?
The molecular weight of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide is 279.12192 g/mol.
Where can I buy N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide?
You can request a quote for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.