1-cyclobutyl-3-(4-methylcyclohexyl)urea

C12H22N2O — CID 103653458

IUPAC1-cyclobutyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O/c1-9-5-7-11(8-6-9)14-12(15)13-10-3-2-4-10/h9-11H,2-8H2,1H3,(H2,13,14,15)
InChIKeyASGCMXHIRHXVBS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.42
Rot. Bonds2

About 1-cyclobutyl-3-(4-methylcyclohexyl)urea

1-cyclobutyl-3-(4-methylcyclohexyl)urea (PubChem CID 103653458) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methylcyclohexyl)urea
PubChem CID103653458
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclobutyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O/c1-9-5-7-11(8-6-9)14-12(15)13-10-3-2-4-10/h9-11H,2-8H2,1H3,(H2,13,14,15)
InChIKeyASGCMXHIRHXVBS-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-cyclobutyl-3-cyclohexylurea
CID 17217147
2,2-dimethyl-N-(4-methylcycloheptyl)propanamide
CID 102795217
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-cyclopentyl-3-(5-methylpiperidin-3-yl)urea
CID 107585278
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
1-tert-butyl-3-cyclobutylurea
CID 17217146
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methylcyclohexyl)urea (CID 103653458) is 1-cyclobutyl-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)NC2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-(4-methylcyclohexyl)urea?
The InChIKey is ASGCMXHIRHXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-5-7-11(8-6-9)14-12(15)13-10-3-2-4-10/h9-11H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclobutyl-3-(4-methylcyclohexyl)urea?
1-cyclobutyl-3-(4-methylcyclohexyl)urea has a molecular weight of 210.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 103653458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).