2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-phenyl-, oxalate

HCID 39287

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Basic information

CAS: 42773-87-5
Standard SMILES: CC[NH+](CC)CCN1C(=O)C(c2ccccc2)c2ccccc21.O=C([O-])C(=O)O
InChIKey: STPRTYALJPESTF-UHFFFAOYSA-N
Molecular formula: C22H26N2O5
Average molar mass: 398.5 g/mol
Monoisotopic mass: 398.18417193

Names & identifiers

Preferred name: 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-phenyl-, oxalate
IUPAC: diethyl-[2-(2-oxo-3-phenyl-3H-indol-1-yl)ethyl]azanium;2-hydroxy-2-oxoacetate

Names & synonyms

1,3-Dihydro-1-(2-(diethylamino)ethyl)-3-phenyl-2H-indol-2-one oxalate42773-87-52H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-3-PHENYL-, OXALATERefChem:268681

Database identifiers

CAS: 42773-87-5
PubChem CID: 39287

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 465

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