1-[(4-methoxyphenyl)methyl]-3-phenylurea

C15H16N2O2 — CID 2986135

IUPAC1-[(4-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyDOWGYLFFXJEASR-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.02
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-phenylurea

1-[(4-methoxyphenyl)methyl]-3-phenylurea (PubChem CID 2986135) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-phenylurea
PubChem CID2986135
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyDOWGYLFFXJEASR-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

Analyze 1-[(4-methoxyphenyl)methyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenylurea (CID 2986135) is 1-[(4-methoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-phenylurea is COc1ccc(CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The InChIKey is DOWGYLFFXJEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-phenylurea?
1-[(4-methoxyphenyl)methyl]-3-phenylurea 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-[(4-methoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 2986135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).