1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea

C18H22N2O — CID 108991287

IUPAC1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12(2)15-6-8-16(9-7-15)19-18(21)20-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyMMPZPZWTLZUQSC-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.07
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea

1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 108991287) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID108991287
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12(2)15-6-8-16(9-7-15)19-18(21)20-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyMMPZPZWTLZUQSC-UHFFFAOYSA-N
XLogP5.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7665428
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874323
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea (CID 108991287) is 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is MMPZPZWTLZUQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)15-6-8-16(9-7-15)19-18(21)20-17-10-5-13(3)11-14(17)4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 108991287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).