1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea

C16H18N2O2 — CID 3723719

IUPAC1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-12-7-9-13(10-8-12)11-17-16(19)18-14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyMSCDVSHNOZLURR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 3723719) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID3723719
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-12-7-9-13(10-8-12)11-17-16(19)18-14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyMSCDVSHNOZLURR-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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea (CID 3723719) is 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea is COc1ccccc1NC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is MSCDVSHNOZLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-7-9-13(10-8-12)11-17-16(19)18-14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2-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-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 3723719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).