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Molecule
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
Identifiers
CAS Registry Number
51-66-1
SMILES
COc1ccc(N=C(C)O)cc1
InChI Key
XVAIDCNLVLTVFM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
Names and Synonyms
- N-(4-Methoxyphenyl)Acetamide Common Name
- Acetamide, N-(4-methoxyphenyl)- Synonym
- p-Acetanisidide Synonym
- p-Acetaniside Synonym
- N-(4-Methoxyphenyl)acetamide Synonym
- p-Acetanisidine Synonym
- Acetyl-p-anisidine Synonym
- Metacetin Synonym
- Methacetin Synonym
- p-Methoxyacetanilide Synonym
- Aceto-p-anisidide Synonym
- 4-Methoxyacetanilide Synonym
- 4′-Methoxyacetanilide Synonym
- N-Acetyl-p-methoxyaniline Synonym
- N-Acetyl-p-anisidine Synonym
- N-(p-Methoxyphenyl)acetamide Synonym
- 4-(Acetylamino)anisole Synonym
- 4-Acetamidophenyl methyl ether Synonym
- NSC 4687 Synonym
- 4-Acetamidoanisole Synonym
- 4-Methoxyanilino methyl ketone Synonym
- N-Acetyl-4-methoxyaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.192 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 |
| 2.3031 | RDKit | |
| Molar Refractivity | 48.391800000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
