1-cyclohexyl-3-(2,6-dimethylphenyl)urea

C15H22N2O — CID 794703

IUPAC1-cyclohexyl-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyHVSAFMPDLHSZKR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.76
Rot. Bonds2

About 1-cyclohexyl-3-(2,6-dimethylphenyl)urea

1-cyclohexyl-3-(2,6-dimethylphenyl)urea (PubChem CID 794703) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-dimethylphenyl)urea
PubChem CID794703
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyHVSAFMPDLHSZKR-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Recainam
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1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-Benzyl-1-methyl-3-phenylurea
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Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)urea (CID 794703) is 1-cyclohexyl-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-dimethylphenyl)urea?
The InChIKey is HVSAFMPDLHSZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2,6-dimethylphenyl)urea?
1-cyclohexyl-3-(2,6-dimethylphenyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 794703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).