N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide
TL;DR: N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide (CAS 142628-01-1) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-2-[4-[2-(4-nitroanilino)-2-oxoethyl]phenyl]acetamide
Also Known As: NO2Ph-bpdac, N-(4-Nitrophenyl) N'-butyl-1,4-phenylenediacetamide, 1,4-Benzenediacetamide,N1-butyl-N4-(4-nitrophenyl)-, N-(4-nitrophenyl) N/'-butyl-1,4-phenylenediacetamide, N-butyl-2-[4-[2-(4-nitroanilino)-2-oxoethyl]phenyl]acetamide
Technical Specifications
| Molecular Formula | C20H23N3O4 |
| Molecular Weight | 369.16885 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.16885 Da |
| Heavy Atoms | 27 |
| Complexity | 490.0 |
| SMILES | CCCCNC(=O)CC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MSWHFVBWZZIWTO-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide
Property Insights of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide
The XLogP value of 3.0 indicates that N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide 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-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide?
The CAS number of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide is 142628-01-1.
What is the molecular formula of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide?
The molecular formula of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide is C20H23N3O4.
What is the molecular weight of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide?
The molecular weight of N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide is 369.16885 g/mol.
Where can I buy N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide?
You can request a quote for N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-nitrophenyl) N'-butyl-1,4-phenylenediacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.