1-benzyl-3-(3-methoxyphenyl)urea

C15H16N2O2 — CID 2822865

IUPAC1-benzyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-19-14-9-5-8-13(10-14)17-15(18)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyMEJZUDISYWISBC-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-3-(3-methoxyphenyl)urea

1-benzyl-3-(3-methoxyphenyl)urea (PubChem CID 2822865) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)urea
PubChem CID2822865
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-benzyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-19-14-9-5-8-13(10-14)17-15(18)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyMEJZUDISYWISBC-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)urea (CID 2822865) is 1-benzyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)urea?
The InChIKey is MEJZUDISYWISBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-9-5-8-13(10-14)17-15(18)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)urea?
1-benzyl-3-(3-methoxyphenyl)urea has a molecular weight of 256.31 g/mol, XLogP of 3.02, 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-methoxyphenyl)urea is sourced from PubChem (CID 2822865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).