1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea

C17H20N2O2 — CID 17379696

IUPAC1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-6-4-5-7-16(14)19-17(20)18-12-13-8-10-15(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyRAFSQGDWRLDKHR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea

1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 17379696) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID17379696
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-6-4-5-7-16(14)19-17(20)18-12-13-8-10-15(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyRAFSQGDWRLDKHR-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896
1-N'-(2,6-diethylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976338
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
CID 60595680
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 17379696) is 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is CCc1ccccc1NC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is RAFSQGDWRLDKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-6-4-5-7-16(14)19-17(20)18-12-13-8-10-15(21-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 17379696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).