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1-(4-Methylaminocarbonylmethoxyphenyl)propan-2-one

HCID 19974157
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=O)COc1ccc(CC(C)=O)cc1
InChIKey
RKLORMGCUMOVOK-UHFFFAOYSA-N
Molecular formula
C12H15NO3
Average molar mass
221.25 g/mol
Monoisotopic mass
221.10519334

Names & identifiers

Preferred name
1-(4-Methylaminocarbonylmethoxyphenyl)propan-2-one
IUPAC
N-methyl-2-[4-(2-oxopropyl)phenoxy]acetamide

Names & synonyms

SCHEMBL8880979RKLORMGCUMOVOK-UHFFFAOYSA-N1-(4-methylaminocarbonylmethoxyphenyl)propan-2-one

Database identifiers

PubChem CID
19974157

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
245

Related reactions

5 records
New reaction record
HRID 477148 reaction equation
HRID 477148As reactantuspto-grants-1989_12
HRID 1237001 reaction equation
HRID 1237001As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1451454 reaction equation
HRID 1451454As reactantuspto-grants-1997_02
HRID 1587960 reaction equation
HRID 1587960As reactantuspto-grants-1993_06
HRID 2210386 reaction equation
HRID 2210386As reactantuspto-grants-1995_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes