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Tert-butyl 2-[[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]amino]propanoate (HCID 18337288)|Huagongshe
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Compound
Tert-butyl 2-[[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]amino]propanoate
HCID
18337288
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(NC(=O)N(CCO)CCC1CCCCC1)C(=O)OC(C)(C)C
InChIKey
QYKULFXIDUUGTB-UHFFFAOYSA-N
Molecular formula
C18H34N2O4
Average molar mass
342.5 g/mol
Monoisotopic mass
342.25185757
Names & identifiers
Preferred name
Tert-butyl 2-[[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]amino]propanoate
IUPAC
tert-butyl 2-[[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]amino]propanoate
Database identifiers
PubChem CID
18337288
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
400
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
90878
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
137078
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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