Back to Search
Molecule
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
Identifiers
CAS Registry Number
19433-93-3
SMILES
CCN(CC)c1cc(N=C(C)O)ccc1OC
InChI Key
BTJCIVXKBILNPY-UHFFFAOYSA-N
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)
Names and Synonyms
- N-[3-(Diethylamino)-4-Methoxyphenyl]Acetamide Common Name
- Acetamide, N-[3-(diethylamino)-4-methoxyphenyl]- Synonym
- p-Acetanisidide, 3′-(diethylamino)- Synonym
- N-[3-(Diethylamino)-4-methoxyphenyl]acetamide Synonym
- 3-(Diethylamino)-4-methoxyacetanilide Synonym
- 3′-(Diethylamino)-p-acetanisidide Synonym
- 3-(N,N-Diethylamino)-4-methoxyacetanilide Synonym
- 5-(Acetylamino)-N,N-diethyl-2-methoxyaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.31 g/mol | CAS Common Chemistry |
| 236.315 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 |
| 44.83 Ų | chempirical lib | |
| LogP | 3.149300000000001 | RDKit |
| 3.1493 | RDKit | |
| Molar Refractivity | 71.95280000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 236.15247788 g/mol | RDKit |
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 = 236.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H20N2O2.
