![N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide structure](/static/products/4065/40655-37-6.webp)
N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide
TL;DR: N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide (CAS 40655-37-6) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-tert-butyl-2-nitrophenyl)acetamide
Also Known As: N-(4-tert-Butyl-2-nitrophenyl)acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide, NCIOpen2_006579, 4'-tert-butyl-2'-nitroacetanilide, 4-tert-Butyl-2-nitroacetanilide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.11609 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.11609 Da |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | ZKEOXGOYGVYZJN-UHFFFAOYSA-N |
Chemical Property Profile of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide
Property Insights of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide. Following Lipinski's Rule of Five, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide 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 N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide?
The CAS number of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide is 40655-37-6.
What is the molecular formula of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide?
The molecular formula of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide is C12H16N2O3.
What is the molecular weight of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide?
The molecular weight of N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide is 236.11609 g/mol.
Where can I buy N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide?
You can request a quote for N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide?
Yes, CoreyChem provides custom synthesis services for N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.