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methyl 2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxy-3-phenylpropanoate

HCID 178484307
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNCCN(C)C(=O)OC(Cc1ccccc1)C(=O)OC
InChIKey
GLLKKQJWAAJTLU-UHFFFAOYSA-N
Molecular formula
C15H22N2O4
Average molar mass
294.35 g/mol
Monoisotopic mass
294.15795719

Names & identifiers

IUPAC
methyl 2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxy-3-phenylpropanoate

Database identifiers

PubChem CID
22403933

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Formal charge
0
Complexity
330

Related reactions

1 records
New reaction record
HRID 2149459 reaction equation
HRID 2149459As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes