
 AC1LGXBP

 46 48  0  0  0  0  0  0  0  0999 V2000
   -1.0777    2.0033   -2.8830 C   0  0  0  0  0
   -1.5437    2.3242   -1.4693 C   0  0  0  0  0
   -1.7244    1.0594   -0.6259 C   0  0  0  0  0
   -0.4565    0.1601   -0.5795 C   0  0  0  0  0
   -0.0252   -0.1275   -2.0460 C   0  0  0  0  0
    0.1779    1.1417   -2.8739 C   0  0  0  0  0
   -0.7870   -1.2070    0.1038 C   0  0  0  0  0
   -1.2311   -1.1458    1.5507 C   0  0  0  0  0
   -2.5871   -1.0016    1.8788 C   0  0  0  0  0
   -2.9919   -0.9510    3.2133 C   0  0  0  0  0
   -2.0451   -1.0559    4.2241 C   0  0  0  0  0
   -0.6963   -1.2093    3.9230 C   0  0  0  0  0
   -0.2920   -1.2547    2.5868 C   0  0  0  0  0
   -2.4851   -1.0099    5.5140 O   0  0  0  0  0
    0.6034    0.8950    0.1460 N   0  0  0  0  0
    1.8938    0.4426    0.3203 C   0  0  0  0  0
    2.3079   -0.6398   -0.0764 O   0  0  0  0  0
    2.8067    1.3465    1.0778 C   0  0  0  0  0
    2.6406    2.7379    1.0729 C   0  0  0  0  0
    3.5363    3.5506    1.7719 C   0  0  0  0  0
    4.6010    2.9798    2.4699 C   0  0  0  0  0
    4.7783    1.5968    2.4666 C   0  0  0  0  0
    3.8862    0.7808    1.7688 C   0  0  0  0  0
   -1.8771    1.4774   -3.4196 H   0  0  0  0  0
   -0.8856    2.9331   -3.4299 H   0  0  0  0  0
   -2.4934    2.8699   -1.5135 H   0  0  0  0  0
   -0.8204    2.9928   -0.9877 H   0  0  0  0  0
   -2.0147    1.3703    0.3849 H   0  0  0  0  0
   -2.5658    0.4862   -1.0376 H   0  0  0  0  0
    0.8943   -0.7217   -2.0819 H   0  0  0  0  0
   -0.7957   -0.7376   -2.5366 H   0  0  0  0  0
    1.0213    1.7192   -2.4770 H   0  0  0  0  0
    0.4393    0.8682   -3.9024 H   0  0  0  0  0
    0.0794   -1.8785    0.0417 H   0  0  0  0  0
   -1.5726   -1.7187   -0.4698 H   0  0  0  0  0
   -3.3402   -0.9316    1.0973 H   0  0  0  0  0
   -4.0428   -0.8382    3.4629 H   0  0  0  0  0
    0.0500   -1.3007    4.7051 H   0  0  0  0  0
    0.7630   -1.3896    2.3542 H   0  0  0  0  0
   -1.7233   -1.1392    6.1023 H   0  0  0  0  0
    0.2917    1.6278    0.7688 H   0  0  0  0  0
    1.8427    3.2059    0.5036 H   0  0  0  0  0
    3.4131    4.6311    1.7610 H   0  0  0  0  0
    5.3020    3.6155    3.0067 H   0  0  0  0  0
    5.6159    1.1534    2.9989 H   0  0  0  0  0
    4.0372   -0.2963    1.7577 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
AC1LGXBP

>  <PubChem CID>
878337

>  <Formula>
C20H23NO2

>  <Molecular Weight>
309.409000

>  <IUPAC Name>
N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]benzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H23NO2/c22-18-11-9-16(10-12-18)15-20(13-5-2-6-14-20)21-19(23)17-7-3-1-4-8-17/h1,3-4,7-12,22H,2,5-6,13-15H2,(H,21,23)

>  <InChI Key>
AEYFGSMMGCJTDE-UHFFFAOYSA-N

