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N-Trans-feruloyltramine

PubChem CID: 5280537

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Compound Synonyms N-trans-Feruloyltyramine, Moupinamide, 66648-43-9, Feruloyltyramine, Alfrutamide, N-Feruloyltyramine, trans-N-Feruloyltyramine, feruloyl tyramine, 65646-26-6, (e)-n-feruloyltyramine, N-trans-Feruloyltramine, WC99S6JM5Y, N-FERYROYLTYRAMINE, MFCD17214811, N-E-FERULOYL TYRAMINE, CHEBI:17818, (E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-(4-HYDROXYPHENETHYL)ACRYLAMIDE, N-P-TRANS-HYDROXYPHENETHYL FERULAMINE, (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide, 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide, (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide, 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2E)-, N-feruloyltyramine, Moupinamide, (E)-Feruloyltyramine, N-Transferuloyl Tyramine, N-Trans-Feruloyl Tyramine, UNII-WC99S6JM5Y, (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide, N-[(E)-feruloyl]tyramine, CHEMBL206555, MEGxp0_000693, ACon1_001233, HY-N2410R, DTXSID30904143, 640235-90-1, HY-N2410, RCA64843, N-trans-Feruloyltyramine (Standard), AKOS025287596, Moupinamide, >=95% (LC/MS-ELSD), NCGC00169550-01, DA-66261, DA-73339, MS-24583, (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide, CS-0022611, C02717, F17679, BRD-K98045316-001-01-0, Q27102643, (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 78.8
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC(CCCC1CCCCC1)CCC1CCCCC1
Np Classifier Class Cinnamic acid amides
Deep Smiles COccc/C=C/C=O)NCCcccccc6))O)))))))))))ccc6O
Heavy Atom Count 23.0
Classyfire Class Phenols
Description Alkaloid from Piper nigrum. Moupinamide is found in many foods, some of which are nutmeg, amaranth, sapodilla, and orange bell pepper.
Scaffold Graph Node Level OC(CCC1CCCCC1)NCCC1CCCCC1
Classyfire Subclass Methoxyphenols
Isotope Atom Count 0.0
Molecular Complexity 390.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P14679, n.a., P47199
Iupac Name (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Prediction Hob 1.0
Class Cinnamic acids and derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 2.1
Superclass Phenylpropanoids and polyketides
Subclass Hydroxycinnamic acids and derivatives
Gsk 4 400 Rule True
Molecular Formula C18H19NO4
Scaffold Graph Node Bond Level O=C(C=Cc1ccccc1)NCCc1ccccc1
Prediction Swissadme 0.0
Inchi Key NPNNKDMSXVRADT-WEVVVXLNSA-N
Silicos It Class Moderately soluble
Fcsp3 0.1666666666666666
Logs -3.054
Rotatable Bond Count 6.0
State Solid
Logd 2.914
Synonyms (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide, Feruloyltyramine, Moupinamide, N-feruloyltyramine, N-trans-Feruloyltyramine, trans-N-Feruloyltyramine, N-[(e)-Feruloyl]tyramine, Feruloyltyramine, (Z)-isomer, N-Feruloyltyramine, Feruloyltyramine, (e)-isomer, (2,3)trans-N-(P-Hydroxyphenethyl)ferulamide, feruloylthyramine, feruloyltyramine, feruloyltyramine, n-trans, feruloyltyramine, n-trans-, feruloyltyramines, moupinamide, n-feruloyltyramine, n-trans- feruloyl tyramine, n-trans-feruloyl tyramine, n-trans-feruloyltyramine
Substituent Name Hydroxycinnamic acid or derivatives, Cinnamic acid amide, Methoxyphenol, Phenylpropene, Phenethylamine, Methoxybenzene, Styrene, Phenol ether, Anisole, Aralkylamine, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Secondary carboxylic acid amide, Carboxamide group, Ether, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups c/C=C/C(=O)NC, cO, cOC
Compound Name N-Trans-feruloyltramine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 313.131
Formal Charge 0.0
Monoisotopic Mass 313.131
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 313.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -3.8014755565217393
Inchi InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
Smiles COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O
Nring 2.0
Np Classifier Biosynthetic Pathway Amino acids and Peptides, Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Methoxyphenols
Np Classifier Superclass Phenylpropanoids (C6-C3)