Feruloyltyraminec

Compound Structure:

Synonyms:

(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; n-cis-feruloyltyramine; cis-N-Feruloyltyramine; N-Cis-Feruloyl Tyramine; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2Z)-

Compound ID:

NMPC-1052

PubChem ID:

6440659

Molecular Formula:

C18H19NO4

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O

InChIKey:

NPNNKDMSXVRADT-UITAMQMPSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	313.3 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	313.13140809 g/mol
Monoisotopic Mass	313.13140809 g/mol
Topological Polar Surface Area	78.8Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Phaulopsis falcisepala

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