3-(4-propan-2-ylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
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Basic information
- CAS
353782-75-9- Standard SMILES
Cc1cc(C)c(NC(=O)C=Cc2ccc(C(C)C)cc2)c(C)c1- InChIKey
LFDBFMPWGGVZPI-UHFFFAOYSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.19361442
Names & identifiers
- Preferred name
- 3-(4-propan-2-ylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
- IUPAC
- 3-(4-propan-2-ylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
- English name
- 3-(4-isopropylphenyl)-N-mesitylacrylamide
- Molecular formula
- C21H25NO
- Molecular weight
- 307.43
Names & synonyms
3-(4-isopropylphenyl)-N-mesitylacrylamide2-Propenamide, 3-[4-(1-methylethyl)phenyl]-N-(2,4,6-trimethylphenyl)-
Database identifiers
- CAS
353782-75-9- PubChem CID
- 1219694
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 478.4 · 478.4±45.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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