-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6042   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3167   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  2  0  0  0  0
 20 15  2  0  0  0  0
 11  5  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <ID> (BBL000255)
BBL000255

>  <Rotatable_Bonds> (BBL000255)
0

>  <logP> (BBL000255)
3.166

>  <PSA> (BBL000255)
55.12

>  <H_Donors> (BBL000255)
3

>  <H_Acceptors> (BBL000255)
1

>  <Number_of_rings> (BBL000255)
2

>  <NAME> (BBL000255)
N-(3-aminophenyl)-4-tert-butylbenzamide

>  <Mol_Weight> (BBL000255)
268.36

>  <Mol_Formula> (BBL000255)
C17H20N2O

>  <Smiles> (BBL000255)
Nc1cccc(c1)NC(=O)c1ccc(cc1)C(C)(C)C

>  <Alternative_identifier> (BBL000255)
MFCD00607319

$$$$