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Compound
N,3-dihydroxy-2,2-dimethyl-4-phenylbutanamide
HCID
54588941
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Properties
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Basic information
Standard SMILES
CC(C)(C(=O)NO)C(O)Cc1ccccc1
InChIKey
YPUIIOMCQNHCOE-UHFFFAOYSA-N
Molecular formula
C12H17NO3
Average molar mass
223.27 g/mol
Names & identifiers
Preferred name
N,3-dihydroxy-2,2-dimethyl-4-phenylbutanamide
IUPAC
N,3-dihydroxy-2,2-dimethyl-4-phenylbutanamide
Names & synonyms
SCHEMBL1351141
Database identifiers
PubChem CID
54588941
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
234
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HRID
1205412
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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