1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea

C16H18N2O3 — CID 108867766

IUPAC1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-7-9-12(10-8-11)17-16(19)18-15-13(20-2)5-4-6-14(15)21-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeySMQXSNANRRHQQQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea

1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea (PubChem CID 108867766) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
PubChem CID108867766
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-7-9-12(10-8-11)17-16(19)18-15-13(20-2)5-4-6-14(15)21-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeySMQXSNANRRHQQQ-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868071
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992738
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea (CID 108867766) is 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea is COc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The InChIKey is SMQXSNANRRHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-7-9-12(10-8-11)17-16(19)18-15-13(20-2)5-4-6-14(15)21-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea?
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea has a molecular weight of 286.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 108867766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).