2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-methoxyphenyl)-3-phenylpropanamide
Basic information
- CAS
1031281-10-3- Standard SMILES
COc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)C3C4C=CC(C4)C3C2=O)cc1- InChIKey
CJRBEPKBGJUMOY-UHFFFAOYSA-N- Molecular formula
- C25H24N2O4
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.17360725
Names & identifiers
- Preferred name
- 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-methoxyphenyl)-3-phenylpropanamide
- IUPAC
- 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methoxyphenyl)-3-phenylpropanamide
Names & synonyms
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-methoxyphenyl)-3-phenylpropanamideDTXSID301109595STK257888AKOS001870421AKOS016186067CCG-3432271031281-10-3SR-01000139266SR-01000139266-11,3,3a,4,7,7a-Hexahydro-N-(4-methoxyphenyl)-1,3-dioxo-I+/--(phenylmethyl)-4,7-methano-2H-isoindole-2-acetamide
Database identifiers
- CAS
1031281-10-3- PubChem CID
- 3968873
- DTXSID
DTXSID301109595
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 721
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Compound notes
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