Methyl 4-{[{2-[(5-bromopentyl)oxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate

HCID 22015034
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Basic information

Standard SMILES
CCOC(=O)CCCCN(CCc1ccccc1OCCCCCBr)Cc1ccc(C(=O)OC)cc1
InChIKey
AGJVCYHTDWUVGV-UHFFFAOYSA-N
Molecular formula
C29H40BrNO5
Average molar mass
562.5 g/mol

Names & identifiers

Preferred name
Methyl 4-{[{2-[(5-bromopentyl)oxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate
IUPAC
methyl 4-[[2-[2-(5-bromopentoxy)phenyl]ethyl-(5-ethoxy-5-oxopentyl)amino]methyl]benzoate

Names & synonyms

SCHEMBL2986841AGJVCYHTDWUVGV-UHFFFAOYSA-Nmethyl 4-{[{2-[(5-bromopentyl)oxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate

Database identifiers

PubChem CID
22015034

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
20
Heavy atoms
36

Related reactions

4 records
New reaction record

Compound notes

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