N-(3-oxocyclohexen-1-yl)octanamide

C14H23NO2 — CID 53239922

IUPACN-(3-oxocyclohexen-1-yl)octanamide
SMILESCCCCCCCC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17)
InChIKeyUSNFUKCPLYEHLS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.10
Rot. Bonds7

About N-(3-oxocyclohexen-1-yl)octanamide

N-(3-oxocyclohexen-1-yl)octanamide (PubChem CID 53239922) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(3-oxocyclohexen-1-yl)octanamide.

Molecular Properties

Compound NameN-(3-oxocyclohexen-1-yl)octanamide
PubChem CID53239922
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(3-oxocyclohexen-1-yl)octanamide
SMILESCCCCCCCC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17)
InChIKeyUSNFUKCPLYEHLS-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.10
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

1-butyl-3-(3-oxocyclohexen-1-yl)urea
CID 154390223
(3-oxocyclohexen-1-yl) nonanoate
CID 91181212
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one
CID 11529491
3-nonadecylcyclohex-2-en-1-one
CID 71332898
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
dimethyl 5-(undecanoylamino)benzene-1,3-dicarboxylate
CID 3567810
dimethyl 5-(nonanoylamino)benzene-1,3-dicarboxylate
CID 3527514
cyclobutanone;undecanoic acid
CID 53445946

Frequently Asked Questions

What is the IUPAC name of N-(3-oxocyclohexen-1-yl)octanamide?
The IUPAC name of N-(3-oxocyclohexen-1-yl)octanamide (CID 53239922) is N-(3-oxocyclohexen-1-yl)octanamide.
What is the SMILES notation for N-(3-oxocyclohexen-1-yl)octanamide?
The canonical SMILES for N-(3-oxocyclohexen-1-yl)octanamide is CCCCCCCC(=O)NC1=CC(=O)CCC1.
What is the InChIKey of N-(3-oxocyclohexen-1-yl)octanamide?
The InChIKey is USNFUKCPLYEHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(3-oxocyclohexen-1-yl)octanamide?
N-(3-oxocyclohexen-1-yl)octanamide has a molecular weight of 237.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxocyclohexen-1-yl)octanamide is sourced from PubChem (CID 53239922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).