[(2-methylphenyl)-(4-methylphenyl)methyl]urea

C16H18N2O — CID 2853696

IUPAC[(2-methylphenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc(C(NC(N)=O)c2ccccc2C)cc1
InChIInChI=1S/C16H18N2O/c1-11-7-9-13(10-8-11)15(18-16(17)19)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3,(H3,17,18,19)
InChIKeyWESQDNOWUSYWPF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.06
Rot. Bonds3

About [(2-methylphenyl)-(4-methylphenyl)methyl]urea

[(2-methylphenyl)-(4-methylphenyl)methyl]urea (PubChem CID 2853696) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [(2-methylphenyl)-(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name[(2-methylphenyl)-(4-methylphenyl)methyl]urea
PubChem CID2853696
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[(2-methylphenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc(C(NC(N)=O)c2ccccc2C)cc1
InChIInChI=1S/C16H18N2O/c1-11-7-9-13(10-8-11)15(18-16(17)19)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3,(H3,17,18,19)
InChIKeyWESQDNOWUSYWPF-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2-methylphenyl)-(4-methylphenyl)methyl]urea?
The IUPAC name of [(2-methylphenyl)-(4-methylphenyl)methyl]urea (CID 2853696) is [(2-methylphenyl)-(4-methylphenyl)methyl]urea.
What is the SMILES notation for [(2-methylphenyl)-(4-methylphenyl)methyl]urea?
The canonical SMILES for [(2-methylphenyl)-(4-methylphenyl)methyl]urea is Cc1ccc(C(NC(N)=O)c2ccccc2C)cc1.
What is the InChIKey of [(2-methylphenyl)-(4-methylphenyl)methyl]urea?
The InChIKey is WESQDNOWUSYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-9-13(10-8-11)15(18-16(17)19)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3,(H3,17,18,19).
What are the key properties of [(2-methylphenyl)-(4-methylphenyl)methyl]urea?
[(2-methylphenyl)-(4-methylphenyl)methyl]urea has a molecular weight of 254.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenyl)-(4-methylphenyl)methyl]urea is sourced from PubChem (CID 2853696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).