Basic information
- CAS
6382-50-9- Standard SMILES
C=CCOc1ccc(NC(C)=O)cc1C(=O)NCC(C)C- InChIKey
GIPJXAPUPXGQJS-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Names & identifiers
- Preferred name
- Benzamide, 5-acetamido-2-allyloxy-N-isobutyl-
- IUPAC
- 5-acetamido-N-(2-methylpropyl)-2-prop-2-enoxybenzamide
- English name
- 5-(Acetylamino)-2-(allyloxy)-N-isobutylbenzamide
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
Benzamide, 5-acetamido-2-allyloxy-N-isobutyl-BRN 21488546382-50-95-Acetamido-2-allyloxy-N-isobutylbenzamideDTXSID10213265RefChem:321820DTXCID101357565-(Acetylamino)-2-(allyloxy)-N-isobutylbenzamide5-Acetamido-N-(2-methylpropyl)-2-[(prop-2-en-1-yl)oxy]benzamideBenzamide, 5-(acetylamino)-N-(2-methylpropyl)-2-(2-propen-1-yloxy)-
Database identifiers
- CAS
6382-50-9- PubChem CID
- 201607
- DTXSID
DTXSID10213265- Nikkaji
- J54.625I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 14.25 · 14.25±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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