chempirical

2-Cyano-N,N-diethylacetamide

C7H12N2OCAS 26391-06-0140.19 g/mol

Open in Covalent MOL file
NON
AmideNitrile

Properties

Molecular formula
C7H12N2O
Molar mass
140.19 g/mol
Exact mass
140.0950 Da
Melting point
121 °C
Boiling point
105–114 °C (at 4 Torr)
logP
0.77Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
26391-06-0
SMILES
CCN(CC)C(=O)CC#N
InChIKey
RYSHIRFTLKZVIH-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3

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Names and synonyms

3 names
  • Acetamide, 2-cyano-N,N-diethyl-
  • N,N-Diethylcyanoacetamide
  • N,N-Diethyl-2-cyanoacetamide

Work with 2-Cyano-N,N-diethylacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Oxo-1-pyrrolidinepropanenitrile14227-95-361 % similar β-Oxo-1-piperidinepropanenitrile15029-30-859 % similar 4-(Cyanoacetyl)morpholine15029-32-055 % similar Diethylpropionamide1114-51-852 % similar Chloro-N,N-diethylacetamide2315-36-850 % similar Diethylacetoacetamide2235-46-345 % similar N,N-Diethyldodecanamide3352-87-242 % similar N-Ethyl-2-pyrrolidone2687-91-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N,N′-Di-2-propen-1-ylurea1801-72-5 2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-5 4-Morpholinepropanenitrile4542-47-6

Elsewhere

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