3-(4-ethylphenyl)-1-methyl-1-phenylurea

C16H18N2O — CID 108991136

IUPAC3-(4-ethylphenyl)-1-methyl-1-phenylurea
SMILESCCc1ccc(NC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-13-9-11-14(12-10-13)17-16(19)18(2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeySCWDYCBQZGFTDL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds3

About 3-(4-ethylphenyl)-1-methyl-1-phenylurea

3-(4-ethylphenyl)-1-methyl-1-phenylurea (PubChem CID 108991136) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-methyl-1-phenylurea
PubChem CID108991136
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(4-ethylphenyl)-1-methyl-1-phenylurea
SMILESCCc1ccc(NC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-13-9-11-14(12-10-13)17-16(19)18(2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeySCWDYCBQZGFTDL-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
1-N-(4-ethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072008

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-phenylurea (CID 108991136) is 3-(4-ethylphenyl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(4-ethylphenyl)-1-methyl-1-phenylurea is CCc1ccc(NC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-methyl-1-phenylurea?
The InChIKey is SCWDYCBQZGFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-13-9-11-14(12-10-13)17-16(19)18(2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-ethylphenyl)-1-methyl-1-phenylurea?
3-(4-ethylphenyl)-1-methyl-1-phenylurea has a molecular weight of 254.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-methyl-1-phenylurea is sourced from PubChem (CID 108991136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).