4-[3-(dimethylamino)-2-phenylprop-2-enoyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
Basic information
- CAS
338403-38-6- Standard SMILES
CN(C)C=C(C(=O)c1c[nH]c(C(=O)N(C)C)c1)c1ccccc1- InChIKey
CZRYMYIJIOYHRB-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(dimethylamino)-2-phenylprop-2-enoyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
- IUPAC
- 4-[3-(dimethylamino)-2-phenylprop-2-enoyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
- English name
- 4-[3-(Dimethylamino)-2-phenylacryloyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
- Molecular formula
- C18H21N3O2
- Molecular weight
- 311.38
Names & synonyms
AKOS0302444224-[3-(Dimethylamino)-2-phenylacryloyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide4-[(2E)-3-(dimethylamino)-2-phenylprop-2-enoyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide1H-Pyrrole-2-carboxamide, 4-[3-(dimethylamino)-1-oxo-2-phenyl-2-propen-1-yl]-N,N-dimethyl-
Database identifiers
- CAS
338403-38-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 539.6 · 539.6±50.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 13.6 · 13.60±0.50(Predicted)
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Compound notes
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