CDK     1030232201

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.7159   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    3.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 11 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 10 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:215269

> <NAME>
N-(3-acetamidopropyl)-3-hydroxy-4-methoxybenzamide

> <STAR>
2

> <IUPAC_NAME>
N-(3-acetamidopropyl)-3-hydroxy-4-methoxybenzamide

> <FORMULA>
C13H18N2O4

> <MASS>
266.297

> <MONOISOTOPIC_MASS>
266.12666

> <CHARGE>
0

> <SMILES>
O=C(NCCCNC(=O)C)C1=CC(O)=C(OC)C=C1

> <INCHI>
InChI=1S/C13H18N2O4/c1-9(16)14-6-3-7-15-13(18)10-4-5-12(19-2)11(17)8-10/h4-5,8,17H,3,6-7H2,1-2H3,(H,14,16)(H,15,18)

> <INCHIKEY>
ZRNZFRFSWUTANA-UHFFFAOYSA-N

$$$$