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

3-Acetylamino-4-methoxyphenylacetone

HCID 69733531
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CC(C)=O)cc1NC(C)=O
InChIKey
PSWALQJMIOZORH-UHFFFAOYSA-N
Molecular formula
C12H15NO3
Average molar mass
221.25 g/mol

Names & identifiers

Preferred name
3-Acetylamino-4-methoxyphenylacetone
IUPAC
N-[2-methoxy-5-(2-oxopropyl)phenyl]acetamide

Names & synonyms

SCHEMBL6289649PSWALQJMIOZORH-UHFFFAOYSA-N3-Acetylamino-4-methoxyphenylacetone

Database identifiers

PubChem CID
69733531

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
265

Related reactions

4 records
New reaction record
HRID 959366 reaction equation
HRID 959366As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2144478 reaction equation
HRID 2144478As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2179891 reaction equation
HRID 2179891As productuspto-grants-2005_05
HRID 2179892 reaction equation
HRID 2179892As reactantuspto-grants-2005_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes