1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea

C16H18N2O2 — CID 3785527

IUPAC1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)11-17-16(19)18-14-4-3-5-15(10-14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyBCTZZIAKXZWHRR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea

1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 3785527) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID3785527
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)11-17-16(19)18-14-4-3-5-15(10-14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyBCTZZIAKXZWHRR-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]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

4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea (CID 3785527) is 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea is COc1cccc(NC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is BCTZZIAKXZWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)11-17-16(19)18-14-4-3-5-15(10-14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 270.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 3785527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).