N-(1-cyanocyclooctyl)octanamide

C17H30N2O — CID 60968683

IUPACN-(1-cyanocyclooctyl)octanamide
SMILESCCCCCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C17H30N2O/c1-2-3-4-6-9-12-16(20)19-17(15-18)13-10-7-5-8-11-14-17/h2-14H2,1H3,(H,19,20)
InChIKeyFUOUQSRXKIGUDR-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.47
Rot. Bonds7

About N-(1-cyanocyclooctyl)octanamide

N-(1-cyanocyclooctyl)octanamide (PubChem CID 60968683) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)octanamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)octanamide
PubChem CID60968683
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(1-cyanocyclooctyl)octanamide
SMILESCCCCCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C17H30N2O/c1-2-3-4-6-9-12-16(20)19-17(15-18)13-10-7-5-8-11-14-17/h2-14H2,1H3,(H,19,20)
InChIKeyFUOUQSRXKIGUDR-UHFFFAOYSA-N
XLogP4.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)octanamide?
The IUPAC name of N-(1-cyanocyclooctyl)octanamide (CID 60968683) is N-(1-cyanocyclooctyl)octanamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)octanamide?
The canonical SMILES for N-(1-cyanocyclooctyl)octanamide is CCCCCCCC(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)octanamide?
The InChIKey is FUOUQSRXKIGUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-6-9-12-16(20)19-17(15-18)13-10-7-5-8-11-14-17/h2-14H2,1H3,(H,19,20).
What are the key properties of N-(1-cyanocyclooctyl)octanamide?
N-(1-cyanocyclooctyl)octanamide has a molecular weight of 278.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)octanamide is sourced from PubChem (CID 60968683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).