Back to Search
N-[3-(Diethylamino)-4-Methoxyphenyl]Acetamide
CAS: 19433-93-3 | C13H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19433-93-3
Molecular Formula:
C13H20N2O2
Molecular Mass:
236.31 g/mol
Names and Synonyms:
N-[3-(Diethylamino)-4-Methoxyphenyl]Acetamide
Acetamide, N-[3-(diethylamino)-4-methoxyphenyl]-
p-Acetanisidide, 3′-(diethylamino)-
N-[3-(Diethylamino)-4-methoxyphenyl]acetamide
3-(Diethylamino)-4-methoxyacetanilide
3′-(Diethylamino)-p-acetanisidide
3-(N,N-Diethylamino)-4-methoxyacetanilide
5-(Acetylamino)-N,N-diethyl-2-methoxyaniline
Identifiers:
SMILES:
CCN(CC)c1cc(N=C(C)O)ccc1OC
InChI:
InChI=1S/C13H20N2O2/c1-5-15(6-2)12-9-11(14-10(3)16)7-8-13(12)17-4/h7-9H,5-6H2,1-4H3,(H,14,16)
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 | 236.31 g/mol | CAS Common Chemistry |
| 236.315 g/mol | RDKit | |
| 236.15247788 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C(=C1)N(CC)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2O2/c1-5-15(6-2)12-9-11(14-10(3)16)7-8-13(12)17-4/h7-9H,5-6H2,1-4H3,(H,14,16) | CAS Common Chemistry |
| InChI Key | InChIKey=BTJCIVXKBILNPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-(Diethylamino)-4-methoxyphenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.06 Ų | RDKit |
| LogP | 3.149300000000001 | RDKit |
| Molar Refractivity | 71.95280000000005 | RDKit |
