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

C16H18N2O — CID 2985670

IUPAC1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18N2O/c1-11-5-4-6-14(9-11)17-16(19)18-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyMKFJTTUBRUMRAL-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.26
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea (PubChem CID 2985670) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
PubChem CID2985670
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18N2O/c1-11-5-4-6-14(9-11)17-16(19)18-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyMKFJTTUBRUMRAL-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-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
N-(3-methylphenyl)acetamide
CID 10843
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea (CID 2985670) is 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea?
The InChIKey is MKFJTTUBRUMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-4-6-14(9-11)17-16(19)18-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea?
1-(3,4-dimethylphenyl)-3-(3-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-(3-methylphenyl)urea is sourced from PubChem (CID 2985670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).