2,5-Pyrrolidinedione, 1-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]-
Basic information
- CAS
104400-52-4- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)ON2C(=O)CCC2=O)cc1- InChIKey
GKBIYHJLCVDJAP-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]-
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[4-(2-methylpropyl)phenyl]propanoate
Names & synonyms
104400-52-42,5-Pyrrolidinedione, 1-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]-(2,5-dioxopyrrolidin-1-yl) 2-[4-(2-methylpropyl)phenyl]propanoateSCHEMBL10085431DTXSID604415562,5-DIOXOPYRROLIDIN-1-YL 2-[4-(2-METHYLPROPYL)PHENYL]PROPANOATE
Database identifiers
- CAS
104400-52-4- PubChem CID
- 10542467
- DTXSID
DTXSID60441556
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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