1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea

C16H18N2O — CID 19165586

IUPAC1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C16H18N2O/c1-11-8-9-14(10-13(11)3)17-16(19)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyRLJNNJGBNODVAI-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.26
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea

1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea (PubChem CID 19165586) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
PubChem CID19165586
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C16H18N2O/c1-11-8-9-14(10-13(11)3)17-16(19)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyRLJNNJGBNODVAI-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea (CID 19165586) is 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea?
The InChIKey is RLJNNJGBNODVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-8-9-14(10-13(11)3)17-16(19)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea?
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea has a molecular weight of 254.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 19165586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).