N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide

C18H30N2O — CID 65018223

IUPACN-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
SMILESCCC1CCC(C#N)(NC(=O)C2CCCCCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)16-8-6-4-3-5-7-9-16/h15-16H,2-13H2,1H3,(H,20,21)
InChIKeySXXLPAGWYLTAHJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.33
Rot. Bonds3

About N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide

N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide (PubChem CID 65018223) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
PubChem CID65018223
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
SMILESCCC1CCC(C#N)(NC(=O)C2CCCCCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)16-8-6-4-3-5-7-9-16/h15-16H,2-13H2,1H3,(H,20,21)
InChIKeySXXLPAGWYLTAHJ-UHFFFAOYSA-N
XLogP4.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930868
N-(1-cyanocyclooctyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930869
N-(1-cyanocyclohexyl)-2-cyclohexylacetamide
CID 51970861
N-(1-cyanocyclohexyl)-2-methylpentanamide
CID 60704678
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 71135503
N-tert-butyl-4-ethylcyclohexane-1-carboxamide
CID 89760509
N-(1-cyano-4-ethylcycloheptyl)cyclohexanecarboxamide
CID 117789551
N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide
CID 118411506
N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284816
cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane
CID 144624766

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide (CID 65018223) is N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide is CCC1CCC(C#N)(NC(=O)C2CCCCCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide?
The InChIKey is SXXLPAGWYLTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)16-8-6-4-3-5-7-9-16/h15-16H,2-13H2,1H3,(H,20,21).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide?
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide has a molecular weight of 290.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide is sourced from PubChem (CID 65018223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).