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Compound
Methyl 3-[4-[3-(methylamino)phenyl]phenyl]-2-propoxypropanoate
HCID
77263328
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Basic information
Standard SMILES
CCCOC(Cc1ccc(-c2cccc(NC)c2)cc1)C(=O)OC
InChIKey
UEZPEKUSEQCGKV-UHFFFAOYSA-N
Molecular formula
C20H25NO3
Average molar mass
327.4 g/mol
Names & identifiers
Preferred name
Methyl 3-[4-[3-(methylamino)phenyl]phenyl]-2-propoxypropanoate
IUPAC
methyl 3-[4-[3-(methylamino)phenyl]phenyl]-2-propoxypropanoate
Database identifiers
PubChem CID
77263328
Properties
Computed structural properties
XLogP
4.5
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
366
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Related reactions
1 records
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As solvent
HRID
139686
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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