1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea

C17H20N2O — CID 108991353

IUPAC1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H20N2O/c1-4-14-7-5-6-8-16(14)19-17(20)18-15-10-12(2)9-13(3)11-15/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeyGRKJEOUNYVWJBI-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.51
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea

1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea (PubChem CID 108991353) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
PubChem CID108991353
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H20N2O/c1-4-14-7-5-6-8-16(14)19-17(20)18-15-10-12(2)9-13(3)11-15/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeyGRKJEOUNYVWJBI-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea (CID 108991353) is 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea?
The InChIKey is GRKJEOUNYVWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-14-7-5-6-8-16(14)19-17(20)18-15-10-12(2)9-13(3)11-15/h5-11H,4H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea?
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea has a molecular weight of 268.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108991353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).