N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide (CAS 120226-50-8) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide
Also Known As: N-pivaloyl-piperonylmethylamine, N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide, N-(benzo[1,3]dioxol-5-ylmethyl)-2,2-dimethyl-propanamide, N-Benzo[1,3]dioxol-5-ylmethyl-2,2-dimethyl-propionamide
Technical Specifications
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.12085 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CC(C)(C)C(=O)NCC1=CC2=C(C=C1)OCO2 |
| InChIKey | OEDNXWPHFWKCQA-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide is 120226-50-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide is C13H17NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide is 235.12085 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.