1-cyclohexyl-3-(2-ethylphenyl)urea

C15H22N2O — CID 853789

IUPAC1-cyclohexyl-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c1-2-12-8-6-7-11-14(12)17-15(18)16-13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H2,16,17,18)
InChIKeyZUFAXYGISWKBNQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclohexyl-3-(2-ethylphenyl)urea

1-cyclohexyl-3-(2-ethylphenyl)urea (PubChem CID 853789) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-ethylphenyl)urea
PubChem CID853789
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c1-2-12-8-6-7-11-14(12)17-15(18)16-13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H2,16,17,18)
InChIKeyZUFAXYGISWKBNQ-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-ethylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-ethylphenyl)urea (CID 853789) is 1-cyclohexyl-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-ethylphenyl)urea?
The InChIKey is ZUFAXYGISWKBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-8-6-7-11-14(12)17-15(18)16-13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2-ethylphenyl)urea?
1-cyclohexyl-3-(2-ethylphenyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-ethylphenyl)urea is sourced from PubChem (CID 853789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).