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

C16H18N2O2 — CID 2243562

IUPAC1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-7-14(8-4-12)18-16(19)17-11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyJXBRIRMODULJKS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 2243562) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
PubChem CID2243562
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-7-14(8-4-12)18-16(19)17-11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyJXBRIRMODULJKS-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (CID 2243562) is 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is COc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is JXBRIRMODULJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-3-7-14(8-4-12)18-16(19)17-11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(4-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-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 2243562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).