(2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
Basic information
- CAS
170658-21-6- Standard SMILES
Cc1ccccc1NC(=O)/C=C1/NC(C)(C)Cc2ccccc21- InChIKey
YFGUVFYODINRFP-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
- IUPAC
- (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
- English name
- Acetamide, 2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2- methylphenyl)-
- Molecular formula
- C20H22N2O
- Molecular weight
- 306.4
Names & synonyms
170658-21-62-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2-methylphenyl)acetamideAcetamide, 2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2-methylphenyl)-(2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamideAcetamide, 2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2- methylphenyl)-
Database identifiers
- CAS
170658-21-6- PubChem CID
- 823911
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 515.8 · 515.8±50.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 14.06 · 14.06±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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