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Molecule
N-[3-(Di-2-Propen-1-Ylamino)-4-Methoxyphenyl]Acetamide
CAS: 51868-45-2 · C15H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51868-45-2
- Molecular Formula
- C15H20N2O2
- Molecular Mass
- 260.34 g/mol
Identifiers
CAS Registry Number
51868-45-2
SMILES
C=CCN(CC=C)c1cc(N=C(C)O)ccc1OC
InChI Key
GGUYNLUBFGZIKN-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N2O2/c1-5-9-17(10-6-2)14-11-13(16-12(3)18)7-8-15(14)19-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,18)
Names and Synonyms
- N-[3-(Di-2-Propen-1-Ylamino)-4-Methoxyphenyl]Acetamide Common Name
- Acetamide, N-[3-(di-2-propen-1-ylamino)-4-methoxyphenyl]- Synonym
- Acetamide, N-[3-(di-2-propenylamino)-4-methoxyphenyl]- Synonym
- N-[3-(Di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide Synonym
- 3-(N,N-Diallylamino)-4-methoxyacetanilide Synonym
- 3-(Diallylamino)-4-methoxyacetanilide Synonym
- 4-Acetylamino-2-(diallylamino)anisole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.34 g/mol | CAS Common Chemistry |
| 260.337 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C(=C1)N(CC=C)CC=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H20N2O2/c1-5-9-17(10-6-2)14-11-13(16-12(3)18)7-8-15(14)19-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=GGUYNLUBFGZIKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-(Di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.06 Ų | RDKit |
| 44.83 Ų | chempirical lib | |
| LogP | 3.4815000000000023 | RDKit |
| 3.4815 | RDKit | |
| Molar Refractivity | 80.99880000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2667 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 260.15247788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 260.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H20N2O2.
