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2-[1-(7,7-Dimethoxyheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

HCID 67428211
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

3 records
New reaction record
HRID 88173 reaction equation
HRID 88173As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 307332 reaction equation
HRID 307332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1229483 reaction equation
HRID 1229483As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes