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Ethyl 4-[4-[1-(methylamino)-2-morpholin-4-ylethyl]phenyl]benzoate

HCID 76542579
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(-c2ccc(C(CN3CCOCC3)NC)cc2)cc1
InChIKey
CMASROQUGLEOMY-UHFFFAOYSA-N
Molecular formula
C22H28N2O3
Average molar mass
368.5 g/mol
Monoisotopic mass
368.20999276

Names & identifiers

Preferred name
Ethyl 4-[4-[1-(methylamino)-2-morpholin-4-ylethyl]phenyl]benzoate
IUPAC
ethyl 4-[4-[1-(methylamino)-2-morpholin-4-ylethyl]phenyl]benzoate

Database identifiers

PubChem CID
76542579

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
437

Related reactions

3 records
New reaction record
HRID 113890 reaction equation
HRID 113890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 321502 reaction equation
HRID 321502As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1137777 reaction equation
HRID 1137777As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes