1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea

C16H24N2O — CID 108898085

IUPAC1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-7-6-8-14(11-13)12-17-16(19)18(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,17,19)
InChIKeyMYPPDIIDVCFRNK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.47
Rot. Bonds3

About 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea

1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea (PubChem CID 108898085) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
PubChem CID108898085
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-7-6-8-14(11-13)12-17-16(19)18(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,17,19)
InChIKeyMYPPDIIDVCFRNK-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
1-methyl-1-(3-methylcyclohexyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 112831729
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
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1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea (CID 108898085) is 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea?
The InChIKey is MYPPDIIDVCFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-7-6-8-14(11-13)12-17-16(19)18(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of 1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea?
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea has a molecular weight of 260.38 g/mol, XLogP of 3.47, 3 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-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 108898085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).