Phenylethylmalonamide

C11H14N2O2CAS 7206-76-0206.25 g/mol

Open in Covalent MOL file
H2NONH2O

Properties

Molecular formula
C11H14N2O2
Molar mass
206.25 g/mol
Exact mass
206.1055 Da
Melting point
121 °C
Water solubility
< 100 mg/L (17.8 °C)
logP
2.40Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
7206-76-0
SMILES
CCC(C(=N)O)(C(=N)O)c1ccccc1
InChIKey
JFZHPFOXAAIUMB-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Propanediamide, 2-ethyl-2-phenyl-
  • Malonamide, 2-ethyl-2-phenyl-
  • 2-Ethyl-2-phenylpropanediamide
  • Ethylphenylmalondiamide
  • 2-Ethyl-2-phenylmalondiamide
  • Phenylethylmalondiamide
  • 2-Ethyl-2-phenylmalonamide
  • PEMA
  • PEMA (amide)
  • 2-Phenyl-2-ethylmalondiamide

Work with Phenylethylmalonamide

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

Primidone125-33-756 % similar Phenobarbital50-06-651 % similar 2-Ethyl-2-phenylbutyric acid5465-28-147 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-546 % similar Senicapoc289656-45-745 % similar Aminopentamide60-46-844 % similar 2-Amino-2-phenylbutyric acid5438-07-344 % similar tert-Amylbenzene2049-95-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5 3-(Cbz-amino)-azetidine914348-04-2

Elsewhere

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