![2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide structure](/static/products/5760/57609-69-5.webp)
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
TL;DR: 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide (CAS 57609-69-5) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[4-(propan-2-ylamino)phenyl]prop-2-enamide
Also Known As: 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide, 2-methyl-N-[4-(propan-2-ylamino)phenyl]prop-2-enamide, 2-Propenamide, 2-methyl-N-[4-[(1-methylethyl)amino1phenyl]-, 2-Methyl-N-{4-[(propan-2-yl)amino]phenyl}prop-2-enamide, Opera_ID_953
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 57609-69-5 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C |
| InChIKey | SLHDOPUIZPVUFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide (CAS 57609-69-5), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 2-methyl-N-[4-(propan-2-ylamino)phenyl]prop-2-enamide.
Chemical Property Profile of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
Property Insights of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide. With a topological polar surface area (TPSA) of 41.1 Ų, 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide has 2 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-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide?
The CAS number of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide is 57609-69-5.
What is the molecular formula of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide?
The molecular formula of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide is C13H18N2O.
What is the molecular weight of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide?
The molecular weight of 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide is 218.14 g/mol.
Where can I buy 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide?
You can request a quote for 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.