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1-O-benzyl 5-O-tert-butyl 3-butyl-2-oxoimidazolidine-1,5-dicarboxylate

HCID 178448517
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1CC(C(=O)OC(C)(C)C)N(C(=O)OCc2ccccc2)C1=O
InChIKey
ZLMRWGKFJHKBCJ-UHFFFAOYSA-N
Molecular formula
C20H28N2O5
Average molar mass
376.4 g/mol
Monoisotopic mass
376.199822

Names & identifiers

IUPAC
1-O-benzyl 5-O-tert-butyl 3-butyl-2-oxoimidazolidine-1,5-dicarboxylate

Database identifiers

PubChem CID
76375577

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
76.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
27
Formal charge
0
Complexity
537

Related reactions

2 records
New reaction record
HRID 1200609 reaction equation
HRID 1200609As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2339825 reaction equation
HRID 2339825As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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