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3,4-dimethoxy-N-[3-(2-morpholin-4-yl-indan-5-ylcarbamoyl)-benzyl]-benzamide

HCID 59190829
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CC(N3CCOCC3)C4)c2)cc1OC
InChIKey
BPSAUZOYNCGXMG-UHFFFAOYSA-N
Molecular formula
C30H33N3O5
Average molar mass
515.6 g/mol

Names & identifiers

Preferred name
3,4-dimethoxy-N-[3-(2-morpholin-4-yl-indan-5-ylcarbamoyl)-benzyl]-benzamide
IUPAC
3,4-dimethoxy-N-[[3-[(2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)carbamoyl]phenyl]methyl]benzamide

Names & synonyms

SCHEMBL307781BPSAUZOYNCGXMG-UHFFFAOYSA-N3,4-dimethoxy-N-[3-(2-morpholin-4-yl-indan-5-ylcarbamoyl)-benzyl]-benzamide

Database identifiers

PubChem CID
59190829

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
89.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
790

Related reactions

2 records
New reaction record
HRID 418362 reaction equation
HRID 418362As productuspto-grants-2012_01
HRID 2136914 reaction equation
HRID 2136914As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes