1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea

C16H18N2O2 — CID 6469717

IUPAC1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-12-7-9-13(10-8-12)17-16(19)18-14-5-4-6-15(11-14)20-2/h4-11H,3H2,1-2H3,(H2,17,18,19)
InChIKeyPELJIQOAQJGWQY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea

1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 6469717) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea
PubChem CID6469717
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-12-7-9-13(10-8-12)17-16(19)18-14-5-4-6-15(11-14)20-2/h4-11H,3H2,1-2H3,(H2,17,18,19)
InChIKeyPELJIQOAQJGWQY-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea (CID 6469717) is 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea is CCc1ccc(NC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is PELJIQOAQJGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-12-7-9-13(10-8-12)17-16(19)18-14-5-4-6-15(11-14)20-2/h4-11H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea?
1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 6469717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).