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N-[3-[1-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide (HCID 22049552)|Huagongshe
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Compound
N-[3-[1-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
HCID
22049552
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
COc1ccc(OC(CCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccccc2)cc1
InChIKey
QDEDBFANUHTDQB-UHFFFAOYSA-N
Molecular formula
C31H38N2O3
Average molar mass
486.6 g/mol
Names & identifiers
Preferred name
N-[3-[1-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
IUPAC
N-[3-[1-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
Database identifiers
PubChem CID
22049552
Properties
Computed structural properties
XLogP
6.2
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
36
Formal charge
0
Complexity
634
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Related reactions
1 records
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As product
As reagent
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As solvent
HRID
171010
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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