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N-[1-[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]phenyl]ethyl]acetamide (HCID 89654467)|Huagongshe
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Compound
N-[1-[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]phenyl]ethyl]acetamide
HCID
89654467
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=O)NC(C)c1ccc(N2CC(Oc3ccc(OCc4ccccc4)cc3)C2)cc1
InChIKey
SWKXFGCSJQAACK-UHFFFAOYSA-N
Molecular formula
C26H28N2O3
Average molar mass
416.5 g/mol
Monoisotopic mass
416.20999276
Names & identifiers
Preferred name
N-[1-[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]phenyl]ethyl]acetamide
IUPAC
N-[1-[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]phenyl]ethyl]acetamide
Names & synonyms
SCHEMBL15064916
Database identifiers
PubChem CID
89654467
Properties
Computed structural properties
XLogP
4.5
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Formal charge
0
Complexity
543
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
202297
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
2150209
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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