N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide

C17H22N2O — CID 28780447

IUPACN-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
SMILESN#CCCN(C(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c18-12-7-13-19(16-10-5-2-6-11-16)17(20)14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,13-14H2
InChIKeyZPVZWKAVYNLTNW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.90
Rot. Bonds5

About N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide

N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide (PubChem CID 28780447) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
PubChem CID28780447
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
SMILESN#CCCN(C(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c18-12-7-13-19(16-10-5-2-6-11-16)17(20)14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,13-14H2
InChIKeyZPVZWKAVYNLTNW-UHFFFAOYSA-N
XLogP3.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2338179
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 47019444
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 4540658
N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
CID 86993417
3-(N-cyclohexylanilino)propanenitrile
CID 43183263

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide (CID 28780447) is N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide is N#CCCN(C(=O)CC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide?
The InChIKey is ZPVZWKAVYNLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-12-7-13-19(16-10-5-2-6-11-16)17(20)14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,13-14H2.
What are the key properties of N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide?
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide has a molecular weight of 270.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 28780447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).