![N-benzyl-2-{4-[(cyclooctylamino)methyl]-2-methoxyphenoxy}acetamide](/api/spectrum/Cx2viVRK5IN/structure.png?h=300&w=458 "N-benzyl-2-{4-[(cyclooctylamino)methyl]-2-methoxyphenoxy}acetamide")
| SpectraBase Compound ID | a0wDsDc33C |
|---|---|
| InChI | InChI=1S/C25H34N2O3/c1-29-24-16-21(18-26-22-12-8-3-2-4-9-13-22)14-15-23(24)30-19-25(28)27-17-20-10-6-5-7-11-20/h5-7,10-11,14-16,22,26H,2-4,8-9,12-13,17-19H2,1H3,(H,27,28) |
| InChIKey | QFNSAUVMGLTVAJ-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H34N2O3 |
| Exact Mass | 410.256943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cx2viVRK5IN |
|---|---|
| Name | N-Benzyl-2-{4-[(cyclooctylamino)methyl]-2-methoxyphenoxy}acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.256942960 u |
| Formula | C25H34N2O3 |
| InChI | InChI=1S/C25H34N2O3/c1-29-24-16-21(18-26-22-12-8-3-2-4-9-13-22)14-15-23(24)30-19-25(28)27-17-20-10-6-5-7-11-20/h5-7,10-11,14-16,22,26H,2-4,8-9,12-13,17-19H2,1H3,(H,27,28) |
| InChIKey | QFNSAUVMGLTVAJ-UHFFFAOYSA-N |
| Molecular Weight | 410.558 g/mol |
| SMILES | N(C(COC=1C=CC(CNC2CCCCCCC2)=CC1OC)=O)CC=1C=CC=CC1 |