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Benzyl (1-carbamoyl-3-phenylpropyl)carbamate (HCID 76533771)|Huagongshe
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Compound
Benzyl (1-carbamoyl-3-phenylpropyl)carbamate
HCID
76533771
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
NC(=O)C(CCc1ccccc1)NC(=O)OCc1ccccc1
InChIKey
QLOKRANPCLXAHI-UHFFFAOYSA-N
Molecular formula
C18H20N2O3
Average molar mass
312.4 g/mol
Monoisotopic mass
312.1473925
Names & identifiers
Preferred name
Benzyl (1-carbamoyl-3-phenylpropyl)carbamate
IUPAC
benzyl N-(1-amino-1-oxo-4-phenylbutan-2-yl)carbamate
Names & synonyms
QLOKRANPCLXAHI-UHFFFAOYSA-N
benzyl (1-carbamoyl-3-phenylpropyl)carbamate
Database identifiers
PubChem CID
76533771
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Formal charge
0
Complexity
374
Show all 8
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
278038
As reactant
uspto-grants-2002_03
HRID
834364
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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