2-Propenamide, N-(1,1-dimethylethyl)-3-phenyl-, (2E)-
Basic information
- CAS
99564-46-2- Standard SMILES
CC(C)(C)NC(=O)C=Cc1ccccc1- InChIKey
DQEWVEDDMGKPDM-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2-Propenamide, N-(1,1-dimethylethyl)-3-phenyl-, (2E)-
- IUPAC
- N-tert-butyl-3-phenylprop-2-enamide
- English name
- 2-Propenamide, N-(1,1-dimethylethyl)-3-phenyl-, (2E)-
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
2-Propenamide, N-(1,1-dimethylethyl)-3-phenyl-, (2E)-99564-46-2DTXSID10342589RefChem:266202DTXCID70293669N-tert-butyl-3-phenylprop-2-enamideSCHEMBL6745325N-(TERT-BUTYL)-3-PHENYLACRYLAMIDE
Database identifiers
- CAS
99564-46-2- PubChem CID
- 583169
- DTXSID
DTXSID10342589
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 144 · 144-146 °C
- Boiling point
- 371.8 · 371.8±25.0 °C(Predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 15.45 · 15.45±0.46(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…