N-(1-cyanocyclohexyl)-2,2-diphenylacetamide

C21H22N2O — CID 78830716

IUPACN-(1-cyanocyclohexyl)-2,2-diphenylacetamide
SMILESN#CC1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H22N2O/c22-16-21(14-8-3-9-15-21)23-20(24)19(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2,(H,23,24)
InChIKeyGFUFQAMELJJTFG-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.16
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2,2-diphenylacetamide

N-(1-cyanocyclohexyl)-2,2-diphenylacetamide (PubChem CID 78830716) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2,2-diphenylacetamide
PubChem CID78830716
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(1-cyanocyclohexyl)-2,2-diphenylacetamide
SMILESN#CC1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H22N2O/c22-16-21(14-8-3-9-15-21)23-20(24)19(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2,(H,23,24)
InChIKeyGFUFQAMELJJTFG-UHFFFAOYSA-N
XLogP4.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392181
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
CID 70338332
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9306364
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7203914
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2,2-diphenylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2,2-diphenylacetamide (CID 78830716) is N-(1-cyanocyclohexyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2,2-diphenylacetamide is N#CC1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2,2-diphenylacetamide?
The InChIKey is GFUFQAMELJJTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c22-16-21(14-8-3-9-15-21)23-20(24)19(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2,(H,23,24).
What are the key properties of N-(1-cyanocyclohexyl)-2,2-diphenylacetamide?
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide has a molecular weight of 318.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2,2-diphenylacetamide is sourced from PubChem (CID 78830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).