1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea

C15H22N2O — CID 5051501

IUPAC1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-15(18)17(2)13-9-4-3-5-10-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyMCAHCVYDLQQNEL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.79
Rot. Bonds2

About 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea

1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea (PubChem CID 5051501) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
PubChem CID5051501
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-15(18)17(2)13-9-4-3-5-10-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyMCAHCVYDLQQNEL-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea (CID 5051501) is 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea?
The InChIKey is MCAHCVYDLQQNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-15(18)17(2)13-9-4-3-5-10-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea?
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 5051501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).