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N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(5-quinolinyl)ethanediamide

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N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(5-quinolinyl)ethanediamide
SpectraBase Compound ID gas3F503FI
InChI InChI=1S/C21H21N3O4/c1-27-18-9-8-14(13-19(18)28-2)10-12-23-20(25)21(26)24-17-7-3-6-16-15(17)5-4-11-22-16/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKey JNAMTQLPLHFKQK-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMsADAauGXD
Name N~1~-[2-(3,4-Dimethoxyphenyl)ethyl]-N~2~-(5-quinolinyl)ethanediamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.153206164 u
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-27-18-9-8-14(13-19(18)28-2)10-12-23-20(25)21(26)24-17-7-3-6-16-15(17)5-4-11-22-16/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKey JNAMTQLPLHFKQK-UHFFFAOYSA-N
Molecular Weight 379.416 g/mol
SMILES N(C(C(=O)NCCC1=CC(OC)=C(C=C1)OC)=O)C1=C2C(N=CC=C2)=CC=C1