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benzyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate (HCID 178449540)|Huagongshe
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Compound
benzyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate
HCID
178449540
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Basic information
Standard SMILES
CC(C)C(NC(=O)N1CCOCC1)C(=O)OCc1ccccc1
InChIKey
ZMVOHBWKGQTXCR-UHFFFAOYSA-N
Molecular formula
C17H24N2O4
Average molar mass
320.4 g/mol
Monoisotopic mass
320.17360725
Names & identifiers
IUPAC
benzyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate
Database identifiers
PubChem CID
18917835
Properties
Computed structural properties
XLogP
2
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
388
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As solvent
HRID
96046
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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