N-tert-butyl-2,5-dimethylbenzamide
TL;DR: N-tert-butyl-2,5-dimethylbenzamide (CAS 148315-31-5) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-2,5-dimethylbenzamide
Also Known As: N-tert-butyl-2,5-dimethylbenzamide, Benzamide, N-(1,1-dimethylethyl)-2,5-dimethyl-, N-tert-butyl-2,5-dimethyl-benzamide, N-(tert-Butyl)-2,5-dimethylbenzamide
Technical Specifications
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.14667 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.14667 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)NC(C)(C)C |
| InChIKey | ZIRFIVHCFGYUQX-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-2,5-dimethylbenzamide
Property Insights of N-tert-butyl-2,5-dimethylbenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2,5-dimethylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-butyl-2,5-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-2,5-dimethylbenzamide 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
What is the CAS number of N-tert-butyl-2,5-dimethylbenzamide?
The CAS number of N-tert-butyl-2,5-dimethylbenzamide is 148315-31-5.
What is the molecular formula of N-tert-butyl-2,5-dimethylbenzamide?
The molecular formula of N-tert-butyl-2,5-dimethylbenzamide is C13H19NO.
What is the molecular weight of N-tert-butyl-2,5-dimethylbenzamide?
The molecular weight of N-tert-butyl-2,5-dimethylbenzamide is 205.14667 g/mol.
Where can I buy N-tert-butyl-2,5-dimethylbenzamide?
You can request a quote for N-tert-butyl-2,5-dimethylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-2,5-dimethylbenzamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-2,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.