2-(3-Hydroxy-2,4,6-triiodo-benzyl)-N-(1-phenyl-ethyl)-butyramide
Basic information
- CAS
1022653-02-6- Standard SMILES
CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)NC(C)c1ccccc1- InChIKey
QJOAVJWTWWZDQF-UHFFFAOYSA-N- Molecular formula
- C19H20I3NO2
- Average molar mass
- 675.1 g/mol
- Monoisotopic mass
- 674.8628
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-2,4,6-triiodo-benzyl)-N-(1-phenyl-ethyl)-butyramide
- IUPAC
- 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]-N-(1-phenylethyl)butanamide
- English name
- 2-(3-Hydroxy-2,4,6-triiodo-benzyl)-N-(1-phenyl-ethyl)-butyramide
- Molecular formula
- C19H20I3NO2
- Molecular weight
- 675.08
Names & synonyms
SCHEMBL19379586AKOS0244224342-(3-HYDROXY-2,4,6-TRIIODO-BENZYL)-N-(1-PHENYL-ETHYL)-BUTYRAMIDEBenzenepropanamide, α-ethyl-3-hydroxy-2,4,6-triiodo-N-(1-phenylethyl)-
Database identifiers
- CAS
1022653-02-6- PubChem CID
- 3554102
- EC Number
- 167-635-4
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 600.145 · 600.145±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.002 · 2.002±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.463 · 6.463±0.28(predicted)
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Compound notes
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