Propylbutamide
Basic information
- CAS
633-47-6- Standard SMILES
CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C- InChIKey
CYZWCBZIBJLKCV-UHFFFAOYSA-N- Molecular formula
- C13H24N2O2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.18377801
Names & identifiers
- Preferred name
- Propylbutamide
- IUPAC
- 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
- English name
- cropropamide
- Molecular formula
- C13H24N2O2
- Molecular weight
- 240.34
Names & synonyms
propylbutamideSCHEMBL25324NS00010502(E)-N-[1-(Dimethylcarbamoyl)propyl]-N-propyl-but-2-enamideN-[1-(Dimethylamino)-1-oxobutan-2-yl]-N-propylbut-2-enamidecropropamideCropropamide 100 μg/mL in AcetonitrileN-[1-[(Dimethylamino)carbonyl]propyl]-N-propyl-2-butenamide2-ButenaMide, N-[1-[(diMethylaMino)carbonyl]propyl]-N-propyl-
Database identifiers
- CAS
633-47-6- PubChem CID
- 19064
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 0.25 · bp0.25 128-130°
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Soluble)
- pka
- -0.74 · -0.74±0.70(Predicted)
- form
- Oil
- color
- Pale Yellow to Dark Yellow
- Stability
- Light Sensitive
- FDA UNII
- 8 TYE9V9BX · W8TYE9V9BX
Chemistry & industry
Applications
UsesCropropamide, is the main component of the drug Prethcamide, which is a respiratory stimulant.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Cropropamide is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
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