N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide
TL;DR: N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide (CAS 1024043-94-4) is a chemical compound with molecular formula C18H18N2O and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide
Also Known As: N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide, N-benzyl-N-(2-cyanoethyl)-4-methyl-benzamide, N-(2-cyanoethyl)(4-methylphenyl)-N-benzylcarboxamide
| Molecular Formula | C18H18N2O |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 3.5511 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1419 |
| Heavy Atoms | 21 |
| Complexity | 626.51794 |
Chemical Identifiers
| CAS Number | 1024043-94-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N(CCC#N)CC2=CC=CC=C2 |
Product Overview
N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide (CAS 1024043-94-4), with molecular formula C18H18N2O and molecular weight 278.14 g/mol. IUPAC: N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide.
Chemical Property Profile of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide
Property Insights of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide
The XLogP value of 3.5511 indicates that N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide has 0 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 N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide?
The CAS number of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide is 1024043-94-4.
What is the molecular formula of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide?
The molecular formula of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide is C18H18N2O.
What is the molecular weight of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide?
The molecular weight of N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide is 278.14 g/mol.
Where can I buy N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide?
You can request a quote for N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-(2-cyanoethyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.