3,3-dimethyl-N-(2-nitrophenyl)butanamide
TL;DR: 3,3-dimethyl-N-(2-nitrophenyl)butanamide (CAS 690649-90-2) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-(2-nitrophenyl)butanamide
Also Known As: 3,3-dimethyl-N-(2-nitrophenyl)butanamide
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.9695 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 435.62204 |
Chemical Identifiers
| CAS Number | 690649-90-2 |
|---|---|
| SMILES | CC(C)(C)CC(=O)NC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
3,3-dimethyl-N-(2-nitrophenyl)butanamide (CAS 690649-90-2), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 3,3-dimethyl-N-(2-nitrophenyl)butanamide.
Chemical Property Profile of 3,3-dimethyl-N-(2-nitrophenyl)butanamide
Property Insights of 3,3-dimethyl-N-(2-nitrophenyl)butanamide
The XLogP value of 2.9695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-N-(2-nitrophenyl)butanamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-N-(2-nitrophenyl)butanamide. Following Lipinski's Rule of Five, 3,3-dimethyl-N-(2-nitrophenyl)butanamide 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
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-N-(2-nitrophenyl)butanamide?
The CAS number of 3,3-dimethyl-N-(2-nitrophenyl)butanamide is 690649-90-2.
What is the molecular formula of 3,3-dimethyl-N-(2-nitrophenyl)butanamide?
The molecular formula of 3,3-dimethyl-N-(2-nitrophenyl)butanamide is C12H16N2O3.
What is the molecular weight of 3,3-dimethyl-N-(2-nitrophenyl)butanamide?
The molecular weight of 3,3-dimethyl-N-(2-nitrophenyl)butanamide is 236.12 g/mol.
Where can I buy 3,3-dimethyl-N-(2-nitrophenyl)butanamide?
You can request a quote for 3,3-dimethyl-N-(2-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-N-(2-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-N-(2-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.