N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide

C16H18N2O2 — CID 110473191

IUPACN-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
SMILESN#CC1(NC(=O)CC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H18N2O2/c17-12-16(9-5-2-6-10-16)18-15(20)11-14(19)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,18,20)
InChIKeyYKOAGLWTSAFGDZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.60
Rot. Bonds4

About N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide

N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide (PubChem CID 110473191) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
PubChem CID110473191
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
SMILESN#CC1(NC(=O)CC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H18N2O2/c17-12-16(9-5-2-6-10-16)18-15(20)11-14(19)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,18,20)
InChIKeyYKOAGLWTSAFGDZ-UHFFFAOYSA-N
XLogP2.60
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7865547
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide (CID 110473191) is N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide is N#CC1(NC(=O)CC(=O)c2ccccc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide?
The InChIKey is YKOAGLWTSAFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-12-16(9-5-2-6-10-16)18-15(20)11-14(19)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,18,20).
What are the key properties of N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide?
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).