1-benzyl-3-(2-methoxy-5-methylphenyl)urea

C16H18N2O2 — CID 4694869

IUPAC1-benzyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-8-9-15(20-2)14(10-12)18-16(19)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAIEAPHLWLVQINE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About 1-benzyl-3-(2-methoxy-5-methylphenyl)urea

1-benzyl-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 4694869) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxy-5-methylphenyl)urea
PubChem CID4694869
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-benzyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-8-9-15(20-2)14(10-12)18-16(19)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAIEAPHLWLVQINE-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
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2-methoxy-5-methylphenyl)urea (CID 4694869) is 1-benzyl-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is AIEAPHLWLVQINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-8-9-15(20-2)14(10-12)18-16(19)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2-methoxy-5-methylphenyl)urea?
1-benzyl-3-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 4694869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).