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N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(3-methoxy-phenyl)-propionamide

HCID 22643372
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIKey
LRNVQHJOUDTDHF-UHFFFAOYSA-N
Molecular formula
C20H25NO4
Average molar mass
343.4 g/mol

Names & identifiers

Preferred name
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(3-methoxy-phenyl)-propionamide
IUPAC
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide

Names & synonyms

SCHEMBL4024309LRNVQHJOUDTDHF-UHFFFAOYSA-NN-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(3-methoxy-phenyl)-propionamide

Database identifiers

PubChem CID
22643372

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
390

Related reactions

2 records
New reaction record
HRID 104832 reaction equation
HRID 104832As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2414814 reaction equation
HRID 2414814As productuspto-grants-2004_11

Compound notes

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