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N-(4-Methoxyphenyl)Acetamide
CAS: 51-66-1 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-66-1
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
N-(4-Methoxyphenyl)Acetamide
Acetamide, N-(4-methoxyphenyl)-
p-Acetanisidide
p-Acetaniside
N-(4-Methoxyphenyl)acetamide
p-Acetanisidine
Acetyl-p-anisidine
Metacetin
Methacetin
p-Methoxyacetanilide
Aceto-p-anisidide
4-Methoxyacetanilide
4′-Methoxyacetanilide
N-Acetyl-p-methoxyaniline
N-Acetyl-p-anisidine
N-(p-Methoxyphenyl)acetamide
4-(Acetylamino)anisole
4-Acetamidophenyl methyl ether
NSC 4687
4-Acetamidoanisole
4-Methoxyanilino methyl ketone
N-Acetyl-4-methoxyaniline
Identifiers:
SMILES:
COc1ccc(N=C(C)O)cc1
InChI:
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
Key Properties
Boiling Point
335 °C
CAS Common Chemistry
Melting Point
131 °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 | 165.19 g/mol | CAS Common Chemistry |
| 165.192 g/mol | RDKit | |
| 165.078978592 g/mol | RDKit | |
| Boiling Point | 335 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(OC)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=XVAIDCNLVLTVFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | N-(4-Methoxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.3030999999999997 | RDKit |
| Molar Refractivity | 48.391800000000025 | RDKit |
