-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -0.0042    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID> (BBL000204)
BBL000204

>  <Rotatable_Bonds> (BBL000204)
1

>  <logP> (BBL000204)
0.819

>  <PSA> (BBL000204)
55.12

>  <H_Donors> (BBL000204)
3

>  <H_Acceptors> (BBL000204)
1

>  <Number_of_rings> (BBL000204)
1

>  <NAME> (BBL000204)
N-(3-aminophenyl)-2-methylpropanamide

>  <Mol_Weight> (BBL000204)
178.23

>  <Mol_Formula> (BBL000204)
C10H14N2O

>  <Smiles> (BBL000204)
O=C(C(C)C)Nc1cccc(c1)N

>  <Alternative_identifier> (BBL000204)
MFCD02258054

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