Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-
TL;DR: Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- (CAS 68877-64-5) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]acetamide
Also Known As: 3-((2-Cyanoethyl)allylamino)acetanilide, N-[3-[ amino]phenyl]acetamide, Acetamide, N-[3-[(2-cyanoethyl)-2-propenylamino]phenyl]-, n-{3-[allyl(2-cyanoethyl)amino]phenyl}acetamide, Acetamide, N-(3-((2-cyanoethyl)-2-propenylamino)phenyl)-
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 68877-64-5 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)N(CCC#N)CC=C |
| InChIKey | LNLGQJSEGISOOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- (CAS 68877-64-5), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]acetamide.
Chemical Property Profile of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-
Property Insights of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-. With a topological polar surface area (TPSA) of 56.1 Ų, Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- 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
Frequently Asked Questions
What is the CAS number of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-?
The CAS number of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- is 68877-64-5.
What is the molecular formula of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-?
The molecular formula of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- is C14H17N3O.
What is the molecular weight of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-?
The molecular weight of Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- is 243.14 g/mol.
Where can I buy Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-?
You can request a quote for Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.