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N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,3-diphenylpropanamide

HCID 75150463
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NC1CCC2CN(Cc3ccccc3)CC21)C(Cc1ccccc1)c1ccccc1
InChIKey
KQQJEVURYCVLGV-UHFFFAOYSA-N
Molecular formula
C29H32N2O
Average molar mass
424.6 g/mol

Names & identifiers

Preferred name
N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,3-diphenylpropanamide
IUPAC
N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,3-diphenylpropanamide

Names & synonyms

SCHEMBL16497735

Database identifiers

PubChem CID
75150463

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
588

Related reactions

1 records
New reaction record
HRID 97480 reaction equation
HRID 97480As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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