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Ethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclobutyl]prop-2-enoate

HCID 91028700
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Basic informationNames & identifiersPropertiesRelated reactionsCompound 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

Related reactions

2 records
New reaction record
HRID 820720 reaction equation
HRID 820720As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2143760 reaction equation
HRID 2143760As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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