Basic information
- CAS
13402-08-9- Standard SMILES
CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1- InChIKey
GBPZSCQLDXUGNO-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Overview
Acetylpheneturide is an organic molecular entity.
Names & identifiers
- Preferred name
- Acetylpheneturide
- IUPAC
- N-(acetylcarbamoyl)-2-phenylbutanamide
- English name
- N-[(acetylamino)carbonyl]-2-phenylbutanamide
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.27774
Names & synonyms
acetylpheneturideCrampol13402-08-9Crampole1-Acetyl-3-(2-phenylbutyryl)ureaAcetylpheneturide [JAN]1-Acetyl-3-phenylethylacetylureaDTXSID8048789Urea, 1-acetyl-3-(2-phenylbutyryl)-P-398EINECS 236-493-6Crampol (TN)
Show more names
P 3981(+-)-CrampolN-Acetyl-N'-(2-phenylbutyryl)urea1-Acetyl-3-(phenylethylacetyl)ureaN-(α-Ethylphenylacetyl)-N'-acetylurea
BRN 1987746N-alpha-Ethylphenylacetyl-N'-acetyl ureaUNII-G083008IJ0Acetylpheneturide (JAN)G083008IJ0N-((Acetylamino)carbonyl)-alpha-ethylbenzeneacetamideACETYLPHENETURIDE [MI]DTXCID8028715
Database identifiers
- CAS
13402-08-9- PubChem CID
- 1999
- DTXSID
DTXSID8048789- ChEMBL
CHEMBL93018- ChEBI
CHEBI:31166- UNII
- G083008IJ0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 100 · 100-101°
- Boiling point
- 391.35 °C · 391.35°C (rough estimate)
- Density
- 1.1573 · 1.1573 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- pka
- 11.06 · 11.06±0.70(Predicted)
- FDA UNII
- 83008 IJ0 · G083008IJ0
- Toxicity
- 50 orally · LD50 orally in mice: 4.73 mMole/kg (1.17 g/kg) (Nakamura)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orally in mice: 4.73 mMole/kg (1.17 g/kg) (Nakamura)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Additional notes
DefinitionChEBI: Acetylpheneturide is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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