Podocarpamide
Basic information
- CAS
121880-09-9- Standard SMILES
COc1ccc(CCN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1- InChIKey
WPQYOFRBHAFNOR-UXBLZVDNSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Overview
Podocarpamide has been reported in Esenbeckia leiocarpa and Zanthoxylum beecheyanum with data available.
Names & identifiers
- Preferred name
- Podocarpamide
- IUPAC
- (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
- English name
- podocarpamide
- Molecular formula
- C20H21NO4
- Molecular weight
- 339.39
Names & synonyms
Podocarpamide121880-09-9(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-(4-methoxyphenyl)ethyl)-N-methyl-, (E)-(E)-3-(1,3-benzodioxol-5-yl)-N-(2-(4-methoxyphenyl)ethyl)-N-methylprop-2-enamideRefChem:174996
Database identifiers
- CAS
121880-09-9- PubChem CID
- 5320643
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 550.07 · 550.070±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.961 · -0.961±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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