-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.8542    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.5000    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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID> (BBL000346)
BBL000346

>  <Rotatable_Bonds> (BBL000346)
2

>  <logP> (BBL000346)
1.351

>  <PSA> (BBL000346)
55.12

>  <H_Donors> (BBL000346)
3

>  <H_Acceptors> (BBL000346)
1

>  <Number_of_rings> (BBL000346)
1

>  <NAME> (BBL000346)
N-(3-aminophenyl)-3-methylbutanamide

>  <Mol_Weight> (BBL000346)
192.26

>  <Mol_Formula> (BBL000346)
C11H16N2O

>  <Smiles> (BBL000346)
CC(CC(=O)Nc1cccc(c1)N)C

>  <Alternative_identifier> (BBL000346)
MFCD00461050

$$$$