2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide

C15H27NO2 — CID 116817264

IUPAC2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
SMILESCN(C(=O)CC1CCC1)C1CCC(CCO)CC1
InChIInChI=1S/C15H27NO2/c1-16(15(18)11-13-3-2-4-13)14-7-5-12(6-8-14)9-10-17/h12-14,17H,2-11H2,1H3
InChIKeyCLMDWNRCEQMJQS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide

2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide (PubChem CID 116817264) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
PubChem CID116817264
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
SMILESCN(C(=O)CC1CCC1)C1CCC(CCO)CC1
InChIInChI=1S/C15H27NO2/c1-16(15(18)11-13-3-2-4-13)14-7-5-12(6-8-14)9-10-17/h12-14,17H,2-11H2,1H3
InChIKeyCLMDWNRCEQMJQS-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(4-hydroxycyclohexyl)-N-propylacetamide
CID 58375878
N-cyclooctyl-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 59027546
N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
CID 69719475
(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
CID 71104200
2-[4-[Acetyl(methyl)amino]cyclohexyl]acetic acid
CID 84041290
2-[4-[Methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 84135167
2-[4-[Methyl(2-methylpropanoyl)amino]cyclohexyl]acetic acid
CID 84152917
2-[4-[Acetyl(propan-2-yl)amino]cyclohexyl]acetic acid
CID 121438788
2-[4-[Propanoyl(propan-2-yl)amino]cyclohexyl]acetic acid
CID 121438891
2-[4-[Acetyl(ethyl)amino]cyclohexyl]acetic acid
CID 121439144
2-[4-[Ethyl(propanoyl)amino]cyclohexyl]acetic acid
CID 121439264
cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone
CID 166647702

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide (CID 116817264) is 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide is CN(C(=O)CC1CCC1)C1CCC(CCO)CC1.
What is the InChIKey of 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide?
The InChIKey is CLMDWNRCEQMJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16(15(18)11-13-3-2-4-13)14-7-5-12(6-8-14)9-10-17/h12-14,17H,2-11H2,1H3.
What are the key properties of 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide?
2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide has a molecular weight of 253.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 116817264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).