![ethanediamide, N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~2~-[2-[[(3-methoxypropyl)amino]carbonyl]phenyl]-](/api/spectrum/uUsPqPcWi2/structure.png?h=300&w=458 "ethanediamide, N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~2~-[2-[[(3-methoxypropyl)amino]carbonyl]phenyl]-")
| SpectraBase Compound ID | 5CcQaBOeYyy |
|---|---|
| InChI | InChI=1S/C24H28N4O5/c1-32-13-5-11-25-22(29)18-6-3-4-7-21(18)28-24(31)23(30)26-12-10-16-15-27-20-9-8-17(33-2)14-19(16)20/h3-4,6-9,14-15,27H,5,10-13H2,1-2H3,(H,25,29)(H,26,30)(H,28,31) |
| InChIKey | XFSHNOKELCNLRC-UHFFFAOYSA-N |
| Mol Weight | 452.51 g/mol |
| Molecular Formula | C24H28N4O5 |
| Exact Mass | 452.20597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uUsPqPcWi2 |
|---|---|
| Name | Ethanediamide, N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~2~-[2-[[(3-methoxypropyl)amino]carbonyl]phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.205970013 u |
| Formula | C24H28N4O5 |
| InChI | InChI=1S/C24H28N4O5/c1-32-13-5-11-25-22(29)18-6-3-4-7-21(18)28-24(31)23(30)26-12-10-16-15-27-20-9-8-17(33-2)14-19(16)20/h3-4,6-9,14-15,27H,5,10-13H2,1-2H3,(H,25,29)(H,26,30)(H,28,31) |
| InChIKey | XFSHNOKELCNLRC-UHFFFAOYSA-N |
| Molecular Weight | 452.511 g/mol |
| SMILES | N(C(C(=O)NCCC1=CNC2=C1C=C(C=C2)OC)=O)C1=C(C(=O)NCCCOC)C=CC=C1 |