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N,N-diethyl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-enamide (HCID 69013041)|Huagongshe
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Compound
N,N-diethyl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-enamide
HCID
69013041
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Reactions
Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCN(CC)C(=O)C=C(C)c1cc2cccc(OC(C)c3ccccc3)c2o1
InChIKey
RISQJSKLBDYQDZ-UHFFFAOYSA-N
Molecular formula
C24H27NO3
Average molar mass
377.5 g/mol
Monoisotopic mass
377.19909372
Names & identifiers
Preferred name
N,N-diethyl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-enamide
IUPAC
N,N-diethyl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-enamide
Names & synonyms
SCHEMBL4352260
Database identifiers
PubChem CID
69013041
Properties
Computed structural properties
XLogP
5.5
Topological polar surface area
42.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
536
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
108032
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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