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Compound
2-[1-(7,7-Dimethoxyheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
HCID
67428211
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(CCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)OC
InChIKey
IWAVHLHTZRKQFY-UHFFFAOYSA-N
Molecular formula
C27H38N2O3
Average molar mass
438.6 g/mol
Names & identifiers
Preferred name
2-[1-(7,7-Dimethoxyheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
IUPAC
2-[1-(7,7-dimethoxyheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
Names & synonyms
SCHEMBL2493804
Database identifiers
PubChem CID
67428211
Properties
Computed structural properties
XLogP
4.5
Topological polar surface area
64.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
13
Heavy atoms
32
Formal charge
0
Complexity
521
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
88173
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
307332
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1229483
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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