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Methoxyfenozide
CAS: 161050-58-4 | C22H28N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
161050-58-4
Molecular Formula:
C22H28N2O3
Molecular Mass:
368.48 g/mol
Names and Synonyms:
Methoxyfenozide
Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
RH 2485
RH 112485
Intrepid
Methoxyfenozide
3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2-methylbenzoyl)hydrazide
Runner
Intrepid (pesticide)
Methoxyphenozide
RG 102398
Prodigy 240SC
Identifiers:
SMILES:
COc1cccc(C(O)=NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
InChI:
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
Key Properties
Melting Point
204.5 °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 | 368.48 g/mol | CAS Common Chemistry |
| 368.47700000000015 g/mol | RDKit | |
| 368.209992756 g/mol | RDKit | |
| Canonical SMILES | O=C(NN(C(=O)C=1C=C(C=C(C1)C)C)C(C)(C)C)C=2C=CC=C(OC)C2C | CAS Common Chemistry |
| InChI | InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) | CAS Common Chemistry |
| InChI Key | InChIKey=QCAWEPFNJXQPAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204.5 °C | CAS Common Chemistry |
| Name | Methoxyfenozide | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.13 Ų | RDKit |
| LogP | 4.780960000000004 | RDKit |
| Molar Refractivity | 108.73530000000007 | RDKit |
