Basic information
- CAS
39629-96-4- Standard SMILES
CC(C)(C)NC(=O)C1CC(=O)N(c2ccccc2)C1- InChIKey
FIZUJPHGFYEOBP-UHFFFAOYSA-N- Molecular formula
- C15H20N2O2
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.15247789
Names & identifiers
- Preferred name
- 4-Pyrrolidinecarboxamide, N-(tert-butyl)-2-oxo-1-phenyl
- IUPAC
- N-tert-butyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
- English name
- (N-tert-Butyl)-(phenyl-1-pyrrolidone-2-carboxamide-4)
- Molecular formula
- C15H20N2O2
- Molecular weight
- 260.33
Names & synonyms
39629-96-44-Pyrrolidinecarboxamide, N-(tert-butyl)-2-oxo-1-phenylRefChem:1071571(N-tert-Butyl)-(phenyl-1-pyrrolidone-2-carboxamide-4)N-tert-butyl-5-oxo-1-phenylpyrrolidine-3-carboxamideN-(tert-butyl)-5-oxo-1-phenylpyrrolidine-3-carboxamideBRN 0407018F3053-0174N-(tert-Butyl)-2-oxo-1-phenyl-4-pyrrolidinecarboxamideSCHEMBL2605823DTXSID40960230HMS1702K01
Show more names
5-oxo-1-phenyl-pyrrolidine-3-carboxylic acid tert-butylamideN-(1,1-Dimethylethyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide3-Pyrrolidinecarboxamide, N-(1,1-dimethylethyl)-5-oxo-1-phenyl-
STK257578AKOS000586784AKOS016165964ST064772VU0507959-1N-(tert-butyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamideZ111421400N-(tert-butyl)(5-oxo-1-phenylpyrrolidin-3-yl)carboxamide
Database identifiers
- CAS
39629-96-4- PubChem CID
- 217786
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 522.6 · 522.6±39.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 15.41 · 15.41±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…