Acetanilide, N-(1-methyl-3-pyrrolidinyl)-2-phenoxy-, oxalate (1:1)
Basic information
- CAS
21820-62-2- Standard SMILES
CN1CCC([NH+](C(=O)COc2ccccc2)c2ccccc2)C1.O=C([O-])C(=O)O- InChIKey
PZIPWGXJQPOTGL-UHFFFAOYSA-N- Molecular formula
- C21H24N2O6
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.16343649
Names & identifiers
- Preferred name
- Acetanilide, N-(1-methyl-3-pyrrolidinyl)-2-phenoxy-, oxalate (1:1)
- IUPAC
- 2-hydroxy-2-oxoacetate;(1-methylpyrrolidin-3-yl)-(2-phenoxyacetyl)-phenylazanium
Names & synonyms
ACETANILIDE, N-(1-METHYL-3-PYRROLIDINYL)-2-PHENOXY-, OXALATE (1:1)21820-62-2RefChem:1075482N-(1-Methyl-3-pyrrolidinyl)-2-phenoxyacetanilide oxalate (1:1)
Database identifiers
- CAS
21820-62-2- PubChem CID
- 30820
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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