2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide
TL;DR: 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide (CAS 335205-05-5) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide
Also Known As: 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide, BAS 02257923, N-{5-nitro-2-methylphenyl}-2,2-dimethylbutanamide, 2,2-Dimethyl-N-(2-methyl-5-nitro-phenyl)-butyramide
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.27792 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 481.12476 |
Chemical Identifiers
| CAS Number | 335205-05-5 |
|---|---|
| SMILES | CCC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C |
Product Overview
2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide (CAS 335205-05-5), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide.
Chemical Property Profile of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide
Property Insights of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide
The XLogP value of 3.27792 indicates that 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide. Following Lipinski's Rule of Five, 2,2-dimethyl-N-(2-methyl-5-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 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide?
The CAS number of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide is 335205-05-5.
What is the molecular formula of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide?
The molecular formula of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide is C13H18N2O3.
What is the molecular weight of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide?
The molecular weight of 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide is 250.13 g/mol.
Where can I buy 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide?
You can request a quote for 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.