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Compound
Ethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclobutyl]prop-2-enoate
HCID
91028700
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C=CC1(NC(=O)OC(C)(C)C)CC(OCc2ccccc2)C1
InChIKey
HYLBKAZUEZUOMT-UHFFFAOYSA-N
Molecular formula
C21H29NO5
Average molar mass
375.5 g/mol
Names & identifiers
Preferred name
Ethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclobutyl]prop-2-enoate
IUPAC
ethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclobutyl]prop-2-enoate
Database identifiers
PubChem CID
91028700
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
27
Formal charge
0
Complexity
525
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
820720
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
2143760
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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