Ketcher 01031800412D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -2.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
 10  3  1  0     0  0
  4  2  2  0     0  0
  4 11  1  0     0  0
  4  5  1  0     0  0
  6  5  2  0     0  0
  3  6  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
 11 12  1  0     0  0
M  END
> <ID>
CHEBI:139354

> <NAME>
methacetin

> <DEFINITION>
A member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group.

> <STAR>
3

> <SYNONYM>
p-methoxyacetanilide; p-acetanisidine; NSC 4687; N-acetyl-p-methoxyaniline; N-acetyl-p-anisidine; N-(4-methoxyphenyl)acetic acid amide; N-(4-methoxyphenyl)acetamide; acetyl-p-anisidine; aceto-p-anisidide; 4-methoxyacetanilide; 4-(acetylamino)anisole; 4'-methoxyacetanilide

> <IUPAC_NAME>
N-(4-methoxyphenyl)acetamide

> <FORMULA>
C9H11NO2

> <MASS>
165.189

> <MONOISOTOPIC_MASS>
165.07898

> <CHARGE>
0

> <SMILES>
C=1C=C(OC)C=CC1NC(C)=O

> <INCHI>
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)

> <INCHIKEY>
XVAIDCNLVLTVFM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51-66-1

> <REAXYS_REGISTRY_NUMBER>
387887

> <CHEMIDPLUS>
51-66-1

> <NIST_CHEMISTRY_WEBBOOK>
51-66-1

> <PUBMED_CITATION>
23549507; 23642250; 26935501

$$$$