2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide

C15H16N2O2 — CID 24853690

IUPAC2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
SMILESN#Cc1ccc(C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H16N2O2/c16-10-11-6-8-12(9-7-11)14(18)15(19)17-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H,17,19)
InChIKeyHDTMQJPJCYFEHB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide

2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide (PubChem CID 24853690) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
PubChem CID24853690
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
SMILESN#Cc1ccc(C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H16N2O2/c16-10-11-6-8-12(9-7-11)14(18)15(19)17-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H,17,19)
InChIKeyHDTMQJPJCYFEHB-UHFFFAOYSA-N
XLogP2.19
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
1-(4-cyanobenzoyl)-3-cyclohexyl-1-(cyclopropylamino)thiourea
CID 57110353
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide (CID 24853690) is 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide is N#Cc1ccc(C(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide?
The InChIKey is HDTMQJPJCYFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-10-11-6-8-12(9-7-11)14(18)15(19)17-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H,17,19).
What are the key properties of 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide?
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide has a molecular weight of 256.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 24853690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).