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

C14H20N2O2 — CID 3397178

IUPAC1-cyclohexyl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyKZOFCHITIRGEGY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.15
Rot. Bonds3

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

1-cyclohexyl-3-(4-methoxyphenyl)urea (PubChem CID 3397178) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methoxyphenyl)urea
PubChem CID3397178
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclohexyl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyKZOFCHITIRGEGY-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)urea (CID 3397178) is 1-cyclohexyl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methoxyphenyl)urea?
The InChIKey is KZOFCHITIRGEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-methoxyphenyl)urea?
1-cyclohexyl-3-(4-methoxyphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 3397178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).