Basic information
- Standard SMILES
CCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C)(C)C(=O)O)C4)cc2)cc1- InChIKey
LIQNASZGWVMGQG-UHFFFAOYSA-N- Molecular formula
- C30H32N2O4
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.23620751
Names & identifiers
- Preferred name
- 2-Methyl-2-(1-oxo-6-(4-(4-pentylbenzamido)phenyl)isoindolin-2-yl)propanoic acid
- IUPAC
- 2-methyl-2-[3-oxo-5-[4-[(4-pentylbenzoyl)amino]phenyl]-1H-isoindol-2-yl]propanoic acid
Names & synonyms
SCHEMBL2178865LIQNASZGWVMGQG-UHFFFAOYSA-N2-Methyl-2-(1-oxo-6-(4-(4-pentylbenzamido)phenyl)isoindolin-2-yl)propanoic acid
Database identifiers
- PubChem CID
- 67306455
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 780
Related reactions
1 records
Compound notes
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