![ethanediamide, N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]-](/api/spectrum/H3DeokJya8R/structure.png?h=300&w=458 "ethanediamide, N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]-")
| SpectraBase Compound ID | 7M5KacxcGYM |
|---|---|
| InChI | InChI=1S/C22H27N5O3/c1-2-27-12-6-8-17(27)15-25-21(29)22(30)26-19-10-4-3-9-18(19)20(28)24-14-16-7-5-11-23-13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3,(H,24,28)(H,25,29)(H,26,30) |
| InChIKey | MEGHVMDIAFRODN-UHFFFAOYSA-N |
| Mol Weight | 409.49 g/mol |
| Molecular Formula | C22H27N5O3 |
| Exact Mass | 409.21139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3DeokJya8R |
|---|---|
| Name | Ethanediamide, N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.211389746 u |
| Formula | C22H27N5O3 |
| InChI | InChI=1S/C22H27N5O3/c1-2-27-12-6-8-17(27)15-25-21(29)22(30)26-19-10-4-3-9-18(19)20(28)24-14-16-7-5-11-23-13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3,(H,24,28)(H,25,29)(H,26,30) |
| InChIKey | MEGHVMDIAFRODN-UHFFFAOYSA-N |
| Molecular Weight | 409.490 g/mol |
| SMILES | N(C(C1=C(NC(C(NCC2N(CCC2)CC)=O)=O)C=CC=C1)=O)CC=1C=NC=CC1 |