1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea

C16H24N2O — CID 51111526

IUPAC1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)18(2)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,17,19)
InChIKeyTUKOHKDVRODWLL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds3

About 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea

1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea (PubChem CID 51111526) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
PubChem CID51111526
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)18(2)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,17,19)
InChIKeyTUKOHKDVRODWLL-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870324
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216968

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea (CID 51111526) is 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea?
The InChIKey is TUKOHKDVRODWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)18(2)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea?
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 51111526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).