Back to Search
Molecule
Nonivamide
CAS: 2444-46-4 · C17H27NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2444-46-4
- Molecular Formula
- C17H27NO3
- Molecular Mass
- 293.41 g/mol
Identifiers
CAS Registry Number
2444-46-4
SMILES
CCCCCCCCC(O)=NCc1ccc(O)c(OC)c1
InChI Key
RGOVYLWUIBMPGK-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
Names and Synonyms
- Nonivamide Synonym
- Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]- Synonym
- Nonanamide, N-vanillyl- Synonym
- N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide Synonym
- Nonanoic acid vanillylamide Synonym
- Pelargonic acid vanillylamide Synonym
- N-Vanillylnonanamide Synonym
- N-Vanillylpelargonamide Synonym
- Vanillyl n-nonylamide Synonym
- Vanillyl pelargonic amide Synonym
- N-Vanillylnonamide Synonym
- Nonylic acid vanillylamide Synonym
- Nonylic vanillylamide Synonym
- Nonivamide Synonym
- AH 23491X Synonym
- Pseudocapsaicin Synonym
- N-(4-Hydroxy-3-methoxybenzyl)nonamide Synonym
- Nonanoylvanillyl amide Synonym
- 8-Nordihydrocapsaicin Synonym
- NSC 172795 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.41 g/mol | CAS Common Chemistry |
| 293.40700000000004 g/mol | RDKit | |
| 293.407 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nonivamide | CAS Common Chemistry |
| Canonical SMILES | O=C(NCC1=CC=C(O)C(OC)=C1)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=RGOVYLWUIBMPGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-59 °C | CAS Common Chemistry |
| Name | Nonivamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 62.05000000000001 Ų | RDKit |
| 62.05 Ų | RDKit | |
| LogP | 4.607900000000004 | RDKit |
| 4.6079 | RDKit | |
| Molar Refractivity | 86.41960000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 293.199093724 g/mol | RDKit |
| Boiling Point | 200-210 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 293.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H27NO3.
