4-tert-butyl-N-(4-nitrophenyl)benzamide
TL;DR: 4-tert-butyl-N-(4-nitrophenyl)benzamide (CAS 129488-50-2) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-N-(4-nitrophenyl)benzamide
Also Known As: 4-tert-butyl-N-(4-nitrophenyl)benzamide, 4-(tert-Butyl)-N-(4-nitrophenyl)benzamide, N-(4-Nitrophenyl)-4-tert-butylbenzamide, J1.578.840B, 4-(1,1-Dimethylethyl)-N-(4-nitrophenyl)-benzamide
Technical Specifications
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.13174 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.13174 Da |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AQAXLQNHEBQOJW-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-butyl-N-(4-nitrophenyl)benzamide
Property Insights of 4-tert-butyl-N-(4-nitrophenyl)benzamide
The XLogP value of 4.3 indicates that 4-tert-butyl-N-(4-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(4-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(4-nitrophenyl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-(4-nitrophenyl)benzamide?
The CAS number of 4-tert-butyl-N-(4-nitrophenyl)benzamide is 129488-50-2.
What is the molecular formula of 4-tert-butyl-N-(4-nitrophenyl)benzamide?
The molecular formula of 4-tert-butyl-N-(4-nitrophenyl)benzamide is C17H18N2O3.
What is the molecular weight of 4-tert-butyl-N-(4-nitrophenyl)benzamide?
The molecular weight of 4-tert-butyl-N-(4-nitrophenyl)benzamide is 298.13174 g/mol.
Where can I buy 4-tert-butyl-N-(4-nitrophenyl)benzamide?
You can request a quote for 4-tert-butyl-N-(4-nitrophenyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-butyl-N-(4-nitrophenyl)benzamide?
Yes, CoreyChem provides custom synthesis services for 4-tert-butyl-N-(4-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.