HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-[2-Oxoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid

HCID 19906642
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind 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

Related reactions

1 records
New reaction record
HRID 315827 reaction equation
HRID 315827As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes