2,2-dimethyl-N-(3-pyridylmethyl)butanamide
TL;DR: 2,2-dimethyl-N-(3-pyridylmethyl)butanamide (CAS 6181-71-1) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
Also Known As: (2-phenylethyl)-Carbonimidic dichloride, 2,2-dimethyl-N-(3-pyridylmethyl)butanamide, 2,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide, 2,2-dimethyl-N-(3-pyridinylmethyl)butanamide, AB00103759-01
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6181-71-1 |
|---|---|
| SMILES | CCC(C)(C)C(=O)NCC1=CN=CC=C1 |
| InChIKey | MWBHIEUNCLJUQU-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-N-(3-pyridylmethyl)butanamide (CAS 6181-71-1), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 2,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide.
Chemical Property Profile of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide
Property Insights of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-N-(3-pyridylmethyl)butanamide. With a topological polar surface area (TPSA) of 42.0 Ų, 2,2-dimethyl-N-(3-pyridylmethyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-N-(3-pyridylmethyl)butanamide 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 2,2-dimethyl-N-(3-pyridylmethyl)butanamide?
The CAS number of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide is 6181-71-1.
What is the molecular formula of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide?
The molecular formula of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide is C12H18N2O.
What is the molecular weight of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide?
The molecular weight of 2,2-dimethyl-N-(3-pyridylmethyl)butanamide is 206.14 g/mol.
Where can I buy 2,2-dimethyl-N-(3-pyridylmethyl)butanamide?
You can request a quote for 2,2-dimethyl-N-(3-pyridylmethyl)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-(3-pyridylmethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-(3-pyridylmethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.