-ISIS-  08091621332D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.3000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0292    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <ID> (BBL000084)
BBL000084

>  <Rotatable_Bonds> (BBL000084)
2

>  <logP> (BBL000084)
0.84

>  <PSA> (BBL000084)
64.35

>  <H_Donors> (BBL000084)
3

>  <H_Acceptors> (BBL000084)
2

>  <Number_of_rings> (BBL000084)
1

>  <NAME> (BBL000084)
N-(4-amino-2-methoxyphenyl)-2-methylpropanamide

>  <Mol_Weight> (BBL000084)
208.26

>  <Mol_Formula> (BBL000084)
C11H16N2O2

>  <Smiles> (BBL000084)
COc1cc(N)ccc1NC(=O)C(C)C

>  <Alternative_identifier> (BBL000084)
MFCD03453721

$$$$