1-benzyl-3-(3-methoxy-2-methylphenyl)urea

C16H18N2O2 — CID 2823230

IUPAC1-benzyl-3-(3-methoxy-2-methylphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-14(9-6-10-15(12)20-2)18-16(19)17-11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyCPUSWTJNEIFKRG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About 1-benzyl-3-(3-methoxy-2-methylphenyl)urea

1-benzyl-3-(3-methoxy-2-methylphenyl)urea (PubChem CID 2823230) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxy-2-methylphenyl)urea
PubChem CID2823230
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-benzyl-3-(3-methoxy-2-methylphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-14(9-6-10-15(12)20-2)18-16(19)17-11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyCPUSWTJNEIFKRG-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-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
CID 110775172
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 122146938
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-benzyl-3-(3-methoxy-2-methylphenyl)urea (CID 2823230) is 1-benzyl-3-(3-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(3-methoxy-2-methylphenyl)urea is COc1cccc(NC(=O)NCc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-3-(3-methoxy-2-methylphenyl)urea?
The InChIKey is CPUSWTJNEIFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-14(9-6-10-15(12)20-2)18-16(19)17-11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(3-methoxy-2-methylphenyl)urea?
1-benzyl-3-(3-methoxy-2-methylphenyl)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-benzyl-3-(3-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 2823230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).