Cinnamanilide, 3,4,5-trimethoxy-
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Basic information
- CAS
10263-44-2- Standard SMILES
COc1cc(/C=C/C(=O)Nc2ccccc2)cc(OC)c1OC- InChIKey
NAMIBPVVEFIUEE-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- Cinnamanilide, 3,4,5-trimethoxy-
- IUPAC
- (E)-N-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
- English name
- N-Phenyl-3-(3,4,5-trimethoxyphenyl)propenamide
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
10263-44-2CINNAMANILIDE, 3,4,5-TRIMETHOXY-RefChem:1081732N-Phenyl-3-(3,4,5-trimethoxyphenyl)propenamide3,4,5-TrimethoxycinnamanilideBRN 2394406(E)-N-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamideCHEMBL1095427AKOS001407610Z277828032-Propenamide, N-phenyl-3-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
10263-44-2- PubChem CID
- 1655865
- ChEMBL
CHEMBL1095427- Nikkaji
- J2.851.242B、J48.529B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 523.6 · 523.6±50.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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