1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea
TL;DR: 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea (CAS 76393-33-4) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-N-methylacetamide
Also Known As: N-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-N-methylacetamide, 1-(4-(N-METHYLACETAMIDO)PHENYL)-3-(2,6-XYLYL)UREA, N-(4-{[(2,6-dimethylphenyl)carbamoyl]amino}phenyl)-N-methylacetamide, N-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-N-methylace, 661-450-7
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 76393-33-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C |
| InChIKey | YVXAXGNZHDNCIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea (CAS 76393-33-4), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: N-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-N-methylacetamide.
Chemical Property Profile of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea
Property Insights of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea. Following Lipinski's Rule of Five, 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea 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 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea?
The CAS number of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea is 76393-33-4.
What is the molecular formula of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea?
The molecular formula of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea is C18H21N3O2.
What is the molecular weight of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea?
The molecular weight of 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea is 311.16 g/mol.
Where can I buy 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea?
You can request a quote for 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(N-Methylacetamido)phenyl)-3-(2,6-xylyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.