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N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (HCID 68458294)|Huagongshe
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Compound
N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
HCID
68458294
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCC1CCC(NC(=O)C2CC2CO)CC1
InChIKey
WDPPNUBAHIUGBK-UHFFFAOYSA-N
Molecular formula
C13H23NO2
Average molar mass
225.33 g/mol
Names & identifiers
Preferred name
N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
IUPAC
N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
Names & synonyms
SCHEMBL2961562
Database identifiers
PubChem CID
68458294
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
246
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
123923
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
949788
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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