1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea

C17H26N2O — CID 2814166

IUPAC1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea
SMILESCCc1cccc(C)c1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-4-14-10-8-9-13(2)16(14)18-17(20)19(3)15-11-6-5-7-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyXTMBPMXXWSROEI-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.35
Rot. Bonds3

About 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea

1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea (PubChem CID 2814166) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea
PubChem CID2814166
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea
SMILESCCc1cccc(C)c1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-4-14-10-8-9-13(2)16(14)18-17(20)19(3)15-11-6-5-7-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyXTMBPMXXWSROEI-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea (CID 2814166) is 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea is CCc1cccc(C)c1NC(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea?
The InChIKey is XTMBPMXXWSROEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-10-8-9-13(2)16(14)18-17(20)19(3)15-11-6-5-7-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20).
What are the key properties of 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea?
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea has a molecular weight of 274.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea is sourced from PubChem (CID 2814166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).