1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea

C17H20N2O — CID 67763936

IUPAC1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2c(C)cccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)19-17(20)18-11-16-13(2)5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyDAHLIUZYTWPTPY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.93
Rot. Bonds3

About 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea

1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 67763936) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
PubChem CID67763936
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2c(C)cccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)19-17(20)18-11-16-13(2)5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyDAHLIUZYTWPTPY-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951475
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea (CID 67763936) is 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCc2c(C)cccc2C)cc1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is DAHLIUZYTWPTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)19-17(20)18-11-16-13(2)5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea?
1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 268.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 67763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).