Basic information
- CAS
477848-60-5- Standard SMILES
COc1ccccc1N1CCN(C(C)=CC(=O)Nc2ccccc2C)CC1- InChIKey
VHHDIPYTOANDBA-UHFFFAOYSA-N- Molecular formula
- C22H27N3O2
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
- IUPAC
- 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
- English name
- (E)-3-[4-(2-Methoxyphenyl)piperazino]-N-(2-methylphenyl)-2-butenamide
- Molecular formula
- C22H27N3O2
- Molecular weight
- 365.47
Names & synonyms
Bionet1_004660Oprea1_200256(E)-3-[4-(2-Methoxyphenyl)piperazino]-N-(2-methylphenyl)-2-butenamide2-Butenamide, 3-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(2-methylphenyl)-(2E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
Database identifiers
- CAS
477848-60-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 565.5 · 565.5±50.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 14.04 · 14.04±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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