N-Isobutylacetamide
TL;DR: N-Isobutylacetamide (CAS 1540-94-9) is a chemical compound with molecular formula CC(C)CNC(=O)C and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)acetamide
Also Known As: N-Isobutylacetamide, N-(2-Methylpropyl)acetamide, Acetamide, N-isobutyl-, Acetylisobutylamine, N-Isobutyl-Acetamide
| Molecular Formula | CC(C)CNC(=O)C |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 1540-94-9 |
|---|---|
| SMILES | CC(C)CNC(=O)C |
| InChIKey | VDQMVRFHUYAKJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isobutylacetamide (CAS 1540-94-9), with molecular formula CC(C)CNC(=O)C and molecular weight 115.10 g/mol. IUPAC: N-(2-methylpropyl)acetamide.
Chemical Property Profile of N-Isobutylacetamide
Property Insights of N-Isobutylacetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isobutylacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Isobutylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isobutylacetamide has 1 hydrogen bond donor(s) and 1 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 N-Isobutylacetamide?
The CAS number of N-Isobutylacetamide is 1540-94-9.
What is the molecular formula of N-Isobutylacetamide?
The molecular formula of N-Isobutylacetamide is CC(C)CNC(=O)C.
What is the molecular weight of N-Isobutylacetamide?
The molecular weight of N-Isobutylacetamide is 115.10 g/mol.
Where can I buy N-Isobutylacetamide?
You can request a quote for N-Isobutylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isobutylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isobutylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.