N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
TL;DR: N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide (CAS 100098-62-2) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Also Known As: N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide, N-(2-hydroxy-1,1-dimethylethyl)-3-(3-nitrophenyl)acrylamide, N-(2-hydroxy-1,1-dimethyl-ethyl)-3-(3-nitrophenyl)prop-2-enamide
Technical Specifications
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.111 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.111 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | CC(C)(CO)NC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | KVAFTQANPIPGOD-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Property Insights of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 4 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-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide is 100098-62-2.
What is the molecular formula of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide is C13H16N2O4.
What is the molecular weight of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide is 264.111 g/mol.
Where can I buy N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
Yes, CoreyChem provides custom synthesis services for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.