N-(3-oxocyclohexyl)cyclohexanecarboxamide

C13H21NO2 — CID 164677929

IUPACN-(3-oxocyclohexyl)cyclohexanecarboxamide
SMILESO=C1CCCC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)
InChIKeyFQACUEOBNOJKET-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.19
Rot. Bonds2

About N-(3-oxocyclohexyl)cyclohexanecarboxamide

N-(3-oxocyclohexyl)cyclohexanecarboxamide (PubChem CID 164677929) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-oxocyclohexyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-oxocyclohexyl)cyclohexanecarboxamide
PubChem CID164677929
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3-oxocyclohexyl)cyclohexanecarboxamide
SMILESO=C1CCCC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)
InChIKeyFQACUEOBNOJKET-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
(3-oxocyclohexyl)carbamic acid
CID 68660976
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopropylcycloheptanecarboxamide
CID 62778853
2-methyl-N-(3-oxocyclohexyl)propanamide
CID 164677071
(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
CID 146165342
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
(1S)-3-oxocyclooctane-1-carboxylic acid
CID 100621947
3-oxocyclohexane-1-carboxamide
CID 55290192

Frequently Asked Questions

What is the IUPAC name of N-(3-oxocyclohexyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-oxocyclohexyl)cyclohexanecarboxamide (CID 164677929) is N-(3-oxocyclohexyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-oxocyclohexyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-oxocyclohexyl)cyclohexanecarboxamide is O=C1CCCC(NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-(3-oxocyclohexyl)cyclohexanecarboxamide?
The InChIKey is FQACUEOBNOJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16).
What are the key properties of N-(3-oxocyclohexyl)cyclohexanecarboxamide?
N-(3-oxocyclohexyl)cyclohexanecarboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxocyclohexyl)cyclohexanecarboxamide is sourced from PubChem (CID 164677929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).