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Compound
tert-butyl N-[1-(methylamino)-3-phenylpropan-2-yl]-N-prop-2-enylcarbamate
HCID
22906930
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
C=CCN(C(=O)OC(C)(C)C)C(CNC)Cc1ccccc1
InChIKey
MILAXATYHOJBTL-UHFFFAOYSA-N
Molecular formula
C18H28N2O2
Average molar mass
304.4 g/mol
Names & identifiers
Preferred name
tert-butyl N-[1-(methylamino)-3-phenylpropan-2-yl]-N-prop-2-enylcarbamate
IUPAC
tert-butyl N-[1-(methylamino)-3-phenylpropan-2-yl]-N-prop-2-enylcarbamate
Names & synonyms
SCHEMBL27390069
Database identifiers
PubChem CID
22906930
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
22
Formal charge
0
Complexity
343
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HRID
835608
As product
Test data from https://doi.org/10.1039/C8SC04228D
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