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N-[3-(Di-2-Propen-1-Ylamino)-4-Methoxyphenyl]Acetamide
CAS: 51868-45-2 | C15H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51868-45-2
Molecular Formula:
C15H20N2O2
Molecular Mass:
260.34 g/mol
Names and Synonyms:
N-[3-(Di-2-Propen-1-Ylamino)-4-Methoxyphenyl]Acetamide
Acetamide, N-[3-(di-2-propen-1-ylamino)-4-methoxyphenyl]-
Acetamide, N-[3-(di-2-propenylamino)-4-methoxyphenyl]-
N-[3-(Di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide
3-(N,N-Diallylamino)-4-methoxyacetanilide
3-(Diallylamino)-4-methoxyacetanilide
4-Acetylamino-2-(diallylamino)anisole
Identifiers:
SMILES:
C=CCN(CC=C)c1cc(N=C(C)O)ccc1OC
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 260.34 g/mol | CAS Common Chemistry |
| 260.337 g/mol | RDKit | |
| 260.15247788 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 |
| LogP | 3.4815000000000023 | RDKit |
| Molar Refractivity | 80.99880000000005 | RDKit |
