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2-Methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester

HCID 57719191
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(OCCC2CNC(=O)N2C)cc1
InChIKey
MOSIIWGVFRPBIK-UHFFFAOYSA-N
Molecular formula
C18H26N2O5
Average molar mass
350.4 g/mol
Monoisotopic mass
350.18417193

Names & identifiers

Preferred name
2-Methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester
IUPAC
ethyl 2-methyl-2-[4-[2-(3-methyl-2-oxoimidazolidin-4-yl)ethoxy]phenoxy]propanoate

Names & synonyms

SCHEMBL3989401MOSIIWGVFRPBIK-UHFFFAOYSA-N2-methyl-2-{4-[2-(3-methyl-2-oxo- imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester2-methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester

Database identifiers

PubChem CID
57719191

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
460

Related reactions

4 records
New reaction record
HRID 682911 reaction equation
HRID 682911As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1555780 reaction equation
HRID 1555780As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1985231 reaction equation
HRID 1985231As productuspto-grants-2009_06
HRID 1985232 reaction equation
HRID 1985232As reactantuspto-grants-2009_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes