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Compound
1-O-benzyl 5-O-tert-butyl 3-butyl-2-oxoimidazolidine-1,5-dicarboxylate
HCID
178448517
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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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
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1200609
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2339825
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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