2-cyano-N-(3-methylbutyl)acetamide
TL;DR: 2-cyano-N-(3-methylbutyl)acetamide (CAS 500302-85-2) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(3-methylbutyl)acetamide
Also Known As: 2-cyano-n-isopentylacetamide, NCIOpen2_001554, 2-cyano-N-(3-methylbutyl)acetamide, 2-Cyano-N-(3-methyl-butyl)-acetamide
| Molecular Formula | C8H14N2O |
|---|---|
| Molecular Weight | 154.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.11061 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 500302-85-2 |
|---|---|
| SMILES | CC(C)CCNC(=O)CC#N |
| InChIKey | SXJHYGNZLJOCMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-cyano-N-(3-methylbutyl)acetamide (CAS 500302-85-2), with molecular formula C8H14N2O and molecular weight 154.11 g/mol. IUPAC: 2-cyano-N-(3-methylbutyl)acetamide.
Chemical Property Profile of 2-cyano-N-(3-methylbutyl)acetamide
Property Insights of 2-cyano-N-(3-methylbutyl)acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(3-methylbutyl)acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, 2-cyano-N-(3-methylbutyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(3-methylbutyl)acetamide has 1 hydrogen bond donor(s) and 2 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-N-(3-methylbutyl)acetamide?
The CAS number of 2-cyano-N-(3-methylbutyl)acetamide is 500302-85-2.
What is the molecular formula of 2-cyano-N-(3-methylbutyl)acetamide?
The molecular formula of 2-cyano-N-(3-methylbutyl)acetamide is C8H14N2O.
What is the molecular weight of 2-cyano-N-(3-methylbutyl)acetamide?
The molecular weight of 2-cyano-N-(3-methylbutyl)acetamide is 154.11 g/mol.
Where can I buy 2-cyano-N-(3-methylbutyl)acetamide?
You can request a quote for 2-cyano-N-(3-methylbutyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(3-methylbutyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(3-methylbutyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.