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Molecule
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
Identifiers
CAS Registry Number
161050-58-4
SMILES
COc1cccc(C(O)=NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
InChI Key
QCAWEPFNJXQPAN-UHFFFAOYSA-N
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)
Names and Synonyms
- Methoxyfenozide Synonym
- Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide Synonym
- RH 2485 Synonym
- RH 112485 Synonym
- Intrepid Synonym
- Methoxyfenozide Synonym
- 3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2-methylbenzoyl)hydrazide Synonym
- Runner Synonym
- Intrepid (pesticide) Synonym
- Methoxyphenozide Synonym
- RG 102398 Synonym
- Prodigy 240SC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.48 g/mol | CAS Common Chemistry |
| 368.47700000000015 g/mol | RDKit | |
| 368.477 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 |
| 61.9 Ų | chempirical lib | |
| LogP | 4.780960000000004 | RDKit |
| 4.781 | RDKit | |
| Molar Refractivity | 108.73530000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 368.209992756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 368.48 g/mol. Edit any field — others recompute live.
