N-(2,3-dimethylcyclohexyl)decanamide;ethane

C22H47NO — CID 143436811

IUPACN-(2,3-dimethylcyclohexyl)decanamide;ethane
SMILESCC.CC.CCCCCCCCCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H35NO.2C2H6/c1-4-5-6-7-8-9-10-14-18(20)19-17-13-11-12-15(2)16(17)3;2*1-2/h15-17H,4-14H2,1-3H3,(H,19,20);2*1-2H3
InChIKeyXBHPCPSIGOLHNN-UHFFFAOYSA-N
MW341.62 g/mol
LogP7.12
Rot. Bonds9

About N-(2,3-dimethylcyclohexyl)decanamide;ethane

N-(2,3-dimethylcyclohexyl)decanamide;ethane (PubChem CID 143436811) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)decanamide;ethane.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)decanamide;ethane
PubChem CID143436811
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC NameN-(2,3-dimethylcyclohexyl)decanamide;ethane
SMILESCC.CC.CCCCCCCCCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H35NO.2C2H6/c1-4-5-6-7-8-9-10-14-18(20)19-17-13-11-12-15(2)16(17)3;2*1-2/h15-17H,4-14H2,1-3H3,(H,19,20);2*1-2H3
InChIKeyXBHPCPSIGOLHNN-UHFFFAOYSA-N
XLogP7.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)decanamide;ethane?
The IUPAC name of N-(2,3-dimethylcyclohexyl)decanamide;ethane (CID 143436811) is N-(2,3-dimethylcyclohexyl)decanamide;ethane.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)decanamide;ethane?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)decanamide;ethane is CC.CC.CCCCCCCCCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)decanamide;ethane?
The InChIKey is XBHPCPSIGOLHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.2C2H6/c1-4-5-6-7-8-9-10-14-18(20)19-17-13-11-12-15(2)16(17)3;2*1-2/h15-17H,4-14H2,1-3H3,(H,19,20);2*1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)decanamide;ethane?
N-(2,3-dimethylcyclohexyl)decanamide;ethane has a molecular weight of 341.62 g/mol, XLogP of 7.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)decanamide;ethane is sourced from PubChem (CID 143436811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).