2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide
TL;DR: 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide (CAS 330593-16-3) is a chemical compound with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-ethyl-N-(propan-2-ylcarbamoyl)butanamide
Also Known As: 1-(2-Cyano-2-ethyl-butyryl)-3-isopropyl-urea, N-(2-Cyano-2-ethylbutanoyl)-N'-isopropylurea #, 2-cyano-2-ethyl-N-(propan-2-ylcarbamoyl)butanamide, 2-Cyano-2-ethyl-N-[(propan-2-yl)carbamoyl]butanamide, 2-Cyano-2-ethyl-N-[[(1-methylethyl)amino]carbonyl]butanamide
| Molecular Formula | C11H19N3O2 |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.14772 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 330593-16-3 |
|---|---|
| SMILES | CCC(CC)(C#N)C(=O)NC(=O)NC(C)C |
| InChIKey | RUSQVDUUDTWXHF-UHFFFAOYSA-N |
Product Overview
2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide (CAS 330593-16-3), with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol. IUPAC: 2-cyano-2-ethyl-N-(propan-2-ylcarbamoyl)butanamide.
Chemical Property Profile of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide
Property Insights of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide. Following Lipinski's Rule of Five, 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide has 2 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-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide?
The CAS number of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide is 330593-16-3.
What is the molecular formula of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide?
The molecular formula of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide is C11H19N3O2.
What is the molecular weight of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide?
The molecular weight of 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide is 225.15 g/mol.
Where can I buy 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide?
You can request a quote for 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-ethyl-N-(((1-methylethyl)amino)carbonyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.