N-Trans-Feruloylmethoxytyramine
Basic information
- CAS
78510-19-7- Standard SMILES
COc1cc(/C=C/C(=O)NCCc2ccc(O)c(OC)c2)ccc1O- InChIKey
GRXBVKANHNUZNL-VMPITWQZSA-N- Molecular formula
- C19H21NO5
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.14197277
Overview
N-trans-feruloyl-3-methoxytyramine is a hydroxycinnamic acid. It has a role as a metabolite.
Names & identifiers
- Preferred name
- N-Trans-Feruloylmethoxytyramine
- IUPAC
- (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
- English name
- 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
- Molecular formula
- C19H21NO5
- Molecular weight
- 343.37
Names & synonyms
78510-19-7N-trans-feruloylmethoxytyraminen-feruloyl-3-methoxytyraminetrans-feruloylmethoxytyramineN-Feruloyl-3-methoxytyramine, (E)-693Y4AOA91N-Transferuloyl 3-O-methyldopaminetrans-N-feruloyl-3-o-methyldopamineDTXSID201304540(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide(2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (2E)-
Show more names
3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)prop-2-enamideRefChem:1092130DTXCID901734552N-trans-Feruloyl-3-methoxytyramineHmp-hmpepN-trans-Feruloyl-3-methyldopaminetrans-N-Feruloyl-3-methoxytyramineNSC723670
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 618.9 · 618.9±55.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 9.78 · 9.78±0.35(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: N-trans-feruloyl-3-methoxytyramine is a hydroxycinnamic acid. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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