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N-cyclopropyl-3-[(4-{[5-(1,3-dioxolan-2-ylmethoxy)pyridin-2-yl]methoxy}benzoyl)amino]-4-methylbenzamide

HCID 11488985
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(OCC3OCCO3)cn2)cc1
InChIKey
VXBQNFAQEGLHLZ-UHFFFAOYSA-N
Molecular formula
C28H29N3O6
Average molar mass
503.5 g/mol
Monoisotopic mass
503.20563565

Names & identifiers

Preferred name
N-cyclopropyl-3-[(4-{[5-(1,3-dioxolan-2-ylmethoxy)pyridin-2-yl]methoxy}benzoyl)amino]-4-methylbenzamide
IUPAC
N-cyclopropyl-3-[[4-[[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methoxy]benzoyl]amino]-4-methylbenzamide

Names & synonyms

SCHEMBL244357VXBQNFAQEGLHLZ-UHFFFAOYSA-NN-cyclopropyl-3-[(4-{[5-(1,3-dioxolan-2-ylmethoxy)pyridin-2-yl]methoxy}benzoyl)amino]-4-methylbenzamide

Database identifiers

PubChem CID
11488985

Properties

Computed structural properties

XLogP
3
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Formal charge
0
Complexity
750

Related reactions

4 records
New reaction record
HRID 403036 reaction equation
HRID 403036As productuspto-grants-2014_06
HRID 403037 reaction equation
HRID 403037As reactantuspto-grants-2014_06
HRID 550064 reaction equation
HRID 550064As productuspto-grants-2011_05
HRID 957165 reaction equation
HRID 957165As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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