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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

Related reactions

1 records
New reaction record
HRID 139686 reaction equation
HRID 139686As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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