Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
2-[2-Oxoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
HCID
19906642
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
O=CCN(C(=O)C1CCCCC1C(=O)O)c1ccccc1
InChIKey
MBQJTEFOERRPQY-UHFFFAOYSA-N
Molecular formula
C16H19NO4
Average molar mass
289.33 g/mol
Names & identifiers
Preferred name
2-[2-Oxoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
IUPAC
2-[2-oxoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL9682564
Database identifiers
PubChem CID
19906642
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
390
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
315827
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
Loading…