N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide
TL;DR: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide (CAS 157944-76-8) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide
Also Known As: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)pivalamide, N-(benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide, N-(benzotriazol-1-ylmethyl)-2,2-dimethyl-propanamide, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,2-dimethylpropanamide
Technical Specifications
| Molecular Formula | C12H16N4O |
| Molecular Weight | 232.13242 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.13242 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | CC(C)(C)C(=O)NCN1C2=CC=CC=C2N=N1 |
| InChIKey | ZDFDUEBPNMZVOC-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide
Property Insights of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide. With a topological polar surface area (TPSA) of 59.8 Ų, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide 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
What is the CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide?
The CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide is 157944-76-8.
What is the molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide?
The molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide is C12H16N4O.
What is the molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide?
The molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide is 232.13242 g/mol.
Where can I buy N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide?
You can request a quote for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.