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2-(2-benzyloxy-pyridin-3-yl)-4-tert-butyl-5-methoxy-N-methyl-benzamide

HCID 68591925
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=O)c1cc(OC)c(C(C)(C)C)cc1-c1cccnc1OCc1ccccc1
InChIKey
XVYGOITTXBOCCF-UHFFFAOYSA-N
Molecular formula
C25H28N2O3
Average molar mass
404.5 g/mol
Monoisotopic mass
404.20999276

Names & identifiers

Preferred name
2-(2-benzyloxy-pyridin-3-yl)-4-tert-butyl-5-methoxy-N-methyl-benzamide
IUPAC
4-tert-butyl-5-methoxy-N-methyl-2-(2-phenylmethoxy-3-pyridinyl)benzamide

Names & synonyms

SCHEMBL3312497XVYGOITTXBOCCF-UHFFFAOYSA-N2-(2-benzyloxy-pyridin-3-yl)-4-tert-butyl-5-methoxy-N-methyl-benzamide

Database identifiers

PubChem CID
68591925

Properties

Computed structural propertiesFilling in

XLogP
5.2
Topological polar surface area
60.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
541

Related reactions

4 records
New reaction record
HRID 151958 reaction equation
HRID 151958As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1517531 reaction equation
HRID 1517531As productuspto-grants-2012_07
HRID 1517532 reaction equation
HRID 1517532As reactantuspto-grants-2012_07
HRID 1557575 reaction equation
HRID 1557575As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes