1-benzyl-3-(2,2-dimethylcyclohexyl)urea

C16H24N2O — CID 103751631

IUPAC1-benzyl-3-(2,2-dimethylcyclohexyl)urea
SMILESCC1(C)CCCCC1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2)11-7-6-10-14(16)18-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyGVFMFQHVGHVSRI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.45
Rot. Bonds3

About 1-benzyl-3-(2,2-dimethylcyclohexyl)urea

1-benzyl-3-(2,2-dimethylcyclohexyl)urea (PubChem CID 103751631) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-3-(2,2-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,2-dimethylcyclohexyl)urea
PubChem CID103751631
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-3-(2,2-dimethylcyclohexyl)urea
SMILESCC1(C)CCCCC1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2)11-7-6-10-14(16)18-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyGVFMFQHVGHVSRI-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79859713
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
2-[(2,2-dimethylcyclohexyl)carbamoylamino]benzoic acid
CID 79870220
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2-dimethylcyclohexyl)urea?
The IUPAC name of 1-benzyl-3-(2,2-dimethylcyclohexyl)urea (CID 103751631) is 1-benzyl-3-(2,2-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,2-dimethylcyclohexyl)urea?
The canonical SMILES for 1-benzyl-3-(2,2-dimethylcyclohexyl)urea is CC1(C)CCCCC1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,2-dimethylcyclohexyl)urea?
The InChIKey is GVFMFQHVGHVSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)11-7-6-10-14(16)18-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2,2-dimethylcyclohexyl)urea?
1-benzyl-3-(2,2-dimethylcyclohexyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2-dimethylcyclohexyl)urea is sourced from PubChem (CID 103751631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).