N-(1-(dimethylamino)-1-oxobutan-2-yl)-N-ethylbut-2-enamide
Basic information
- CAS
6168-76-9- Standard SMILES
CC=CC(=O)N(CC)C(CC)C(=O)N(C)C- InChIKey
LSAMUAYPDHUBQD-UHFFFAOYSA-N- Molecular formula
- C12H22N2O2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.16812795
Names & identifiers
- Preferred name
- N-(1-(dimethylamino)-1-oxobutan-2-yl)-N-ethylbut-2-enamide
- IUPAC
- 2-[but-2-enoyl(ethyl)amino]-N,N-dimethylbutanamide
- English name
- crotetamide
- Molecular formula
- C12H22N2O2
- Molecular weight
- 226.32
Names & synonyms
N-[1-(Dimethylcarbamoyl)propyl]-N-ethyl-but-2-enamideSCHEMBL26015N-(1-(dimethylamino)-1-oxobutan-2-yl)-N-ethylbut-2-enamidecrotetamideCrotethamideN-[1-[(Dimethylamino)carbonyl]propyl]-N-ethyl-2-butenamide2-ButenaMide, N-[1-[(diMethylaMino)carbonyl]propyl]-N-ethyl-
Database identifiers
- CAS
6168-76-9- PubChem CID
- 71217
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.03 · bp0.03 132-134°
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- -0.74 · -0.74±0.70(Predicted)
- color
- Colourless to Light Yellow
- FDA UNII
- 642 I97LB5B · 642I97LB5B
Chemistry & industry
Applications
UsesAnalgesic; combination as respiratory stimulant.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Crotetamide is an organooxygen compound and an organonitrogen compound. It is functionally related to an alpha-amino acid.
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