N-(4-oxocyclohexyl)octanamide

C14H25NO2 — CID 43652747

IUPACN-(4-oxocyclohexyl)octanamide
SMILESCCCCCCCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-14(17)15-12-8-10-13(16)11-9-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyGJIRUSODEDOXLN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.97
Rot. Bonds7

About N-(4-oxocyclohexyl)octanamide

N-(4-oxocyclohexyl)octanamide (PubChem CID 43652747) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)octanamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)octanamide
PubChem CID43652747
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(4-oxocyclohexyl)octanamide
SMILESCCCCCCCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-14(17)15-12-8-10-13(16)11-9-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyGJIRUSODEDOXLN-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.97
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

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)octanamide?
The IUPAC name of N-(4-oxocyclohexyl)octanamide (CID 43652747) is N-(4-oxocyclohexyl)octanamide.
What is the SMILES notation for N-(4-oxocyclohexyl)octanamide?
The canonical SMILES for N-(4-oxocyclohexyl)octanamide is CCCCCCCC(=O)NC1CCC(=O)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)octanamide?
The InChIKey is GJIRUSODEDOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-14(17)15-12-8-10-13(16)11-9-12/h12H,2-11H2,1H3,(H,15,17).
What are the key properties of N-(4-oxocyclohexyl)octanamide?
N-(4-oxocyclohexyl)octanamide has a molecular weight of 239.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)octanamide is sourced from PubChem (CID 43652747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).