2-(2,3-dimethylphenoxy)-N-(3-phenylbutylideneamino)acetamide
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Basic information
- CAS
445008-82-2- Standard SMILES
Cc1cccc(OCC(=O)NN=CCC(C)c2ccccc2)c1C- InChIKey
QJKSRJUCEKYADD-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 2-(2,3-dimethylphenoxy)-N-(3-phenylbutylideneamino)acetamide
- IUPAC
- 2-(2,3-dimethylphenoxy)-N-(3-phenylbutylideneamino)acetamide
- English name
- 2-(2,3-dimethylphenoxy)-N'-(3-phenylbutylidene)acetohydrazide
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
HMS2522I122-(2,3-dimethylphenoxy)-N'-(3-phenylbutylidene)acetohydrazide
Database identifiers
- CAS
445008-82-2- PubChem CID
- 3690835
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Density
- 1.053 · 1.053±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.589 · 12.589±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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