N,N-diethyl-2-oxocyclohexane-1-carboxamide

C11H19NO2 — CID 58194812

IUPACN,N-diethyl-2-oxocyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h9H,3-8H2,1-2H3
InChIKeyKOVYFQOHXVJNNH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

About N,N-diethyl-2-oxocyclohexane-1-carboxamide

N,N-diethyl-2-oxocyclohexane-1-carboxamide (PubChem CID 58194812) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N-diethyl-2-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxocyclohexane-1-carboxamide
PubChem CID58194812
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN,N-diethyl-2-oxocyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h9H,3-8H2,1-2H3
InChIKeyKOVYFQOHXVJNNH-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxocyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-2-oxocyclohexane-1-carboxamide (CID 58194812) is N,N-diethyl-2-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-oxocyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-oxocyclohexane-1-carboxamide is CCN(CC)C(=O)C1CCCCC1=O.
What is the InChIKey of N,N-diethyl-2-oxocyclohexane-1-carboxamide?
The InChIKey is KOVYFQOHXVJNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-oxocyclohexane-1-carboxamide?
N,N-diethyl-2-oxocyclohexane-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 58194812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).