Back to Search
N-(2,5-Diethoxyphenyl)Benzamide
CAS: 92-22-8 | C17H19NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-22-8
Molecular Formula:
C17H19NO3
Molecular Mass:
285.34 g/mol
Names and Synonyms:
N-(2,5-Diethoxyphenyl)Benzamide
Benzamide, N-(2,5-diethoxyphenyl)-
Benzanilide, 2′,5′-diethoxy-
N-(2,5-Diethoxyphenyl)benzamide
2′,5′-Diethoxybenzanilide
NSC 163154
Identifiers:
SMILES:
CCOc1ccc(OCC)c(N=C(O)c2ccccc2)c1
InChI:
InChI=1S/C17H19NO3/c1-3-20-14-10-11-16(21-4-2)15(12-14)18-17(19)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,18,19)
Key Properties
Melting Point
87-89 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.34 g/mol | CAS Common Chemistry |
| 285.343 g/mol | RDKit | |
| 285.136493468 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OCC)=CC=C1OCC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19NO3/c1-3-20-14-10-11-16(21-4-2)15(12-14)18-17(19)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=OEZDYMAFWLGKFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-89 °C | CAS Common Chemistry |
| Name | N-(2,5-Diethoxyphenyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 51.05 Ų | RDKit |
| LogP | 4.120300000000003 | RDKit |
| Molar Refractivity | 84.04780000000005 | RDKit |
