N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide

C14H22N2O3 — CID 55023761

IUPACN-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
SMILESN#CC1(NC(=O)C2COCCO2)CCCCCCC1
InChIInChI=1S/C14H22N2O3/c15-11-14(6-4-2-1-3-5-7-14)16-13(17)12-10-18-8-9-19-12/h12H,1-10H2,(H,16,17)
InChIKeyVQLODYCACMPOAH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.52
Rot. Bonds2

About N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide

N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide (PubChem CID 55023761) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
PubChem CID55023761
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
SMILESN#CC1(NC(=O)C2COCCO2)CCCCCCC1
InChIInChI=1S/C14H22N2O3/c15-11-14(6-4-2-1-3-5-7-14)16-13(17)12-10-18-8-9-19-12/h12H,1-10H2,(H,16,17)
InChIKeyVQLODYCACMPOAH-UHFFFAOYSA-N
XLogP1.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
CID 63755659
methyl 1-(1,4-dioxane-2-carbonylamino)cycloheptane-1-carboxylate
CID 47182071
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119259789
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
CID 78831224
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
CID 55151061
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide (CID 55023761) is N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide is N#CC1(NC(=O)C2COCCO2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide?
The InChIKey is VQLODYCACMPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-11-14(6-4-2-1-3-5-7-14)16-13(17)12-10-18-8-9-19-12/h12H,1-10H2,(H,16,17).
What are the key properties of N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide?
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 55023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).