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

C16H18N2O2 — CID 15323520

IUPAC1-benzyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-15-9-7-14(8-10-15)12-18-16(19)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyZTKPCNPGXYPVPM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.69
Rot. Bonds5

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

1-benzyl-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 15323520) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(4-methoxyphenyl)methyl]urea
PubChem CID15323520
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-benzyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-15-9-7-14(8-10-15)12-18-16(19)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyZTKPCNPGXYPVPM-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(4-methoxyphenyl)methyl]urea (CID 15323520) is 1-benzyl-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is ZTKPCNPGXYPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-9-7-14(8-10-15)12-18-16(19)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[(4-methoxyphenyl)methyl]urea?
1-benzyl-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 270.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 15323520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).