
 CHEMBL3218981

 49 50  0  0  0  0  0  0  0  0999 V2000
    5.1559   -0.0849    2.1854 C   0  0  0  0  0
    4.2575   -0.3172    0.9491 C   0  0  0  0  0
    4.1234   -1.8397    0.7996 C   0  0  0  0  0
    2.9377    0.3894    1.0198 N   0  0  0  0  0
    3.1092    1.7802    1.5315 C   0  0  0  0  0
    1.8673    2.6897    1.6308 C   0  0  0  0  0
    0.7646    2.0826    2.3545 N   0  0  0  0  0
   -0.4635    2.6298    2.5990 C   0  0  0  0  0
   -1.3285    1.9926    3.1934 O   0  0  0  0  0
   -0.7303    4.0106    2.1093 C   0  0  0  0  0
   -2.0988    4.3809    1.5994 C   0  0  0  0  0
   -1.6135    4.9564    2.9078 C   0  0  0  0  0
   -1.1403    6.3876    3.0589 C   0  0  0  0  0
   -0.2933    6.7327    4.1277 C   0  0  0  0  0
    0.1726    8.0387    4.3046 C   0  0  0  0  0
   -0.1959    9.0350    3.4067 C   0  0  0  0  0
   -1.0354    8.7250    2.3416 C   0  0  0  0  0
   -1.5066    7.4182    2.1772 C   0  0  0  0  0
    2.1273    0.3576   -0.2320 C   0  0  0  0  0
    2.8451    0.8586   -1.4909 C   0  0  0  0  0
    1.4385   -0.9872   -0.5026 C   0  0  0  0  0
    5.5091    0.9502    2.2408 H   0  0  0  0  0
    6.0578   -0.7064    2.1391 H   0  0  0  0  0
    4.6296   -0.3308    3.1141 H   0  0  0  0  0
    4.8302    0.0609    0.0938 H   0  0  0  0  0
    3.4126   -2.2523    1.5236 H   0  0  0  0  0
    5.0850   -2.3406    0.9636 H   0  0  0  0  0
    3.8197   -2.1259   -0.2072 H   0  0  0  0  0
    3.8670    2.3084    0.9407 H   0  0  0  0  0
    3.4795    1.7149    2.5614 H   0  0  0  0  0
    1.5154    2.9918    0.6376 H   0  0  0  0  0
    2.1417    3.6081    2.1642 H   0  0  0  0  0
    0.8595    1.1075    2.6229 H   0  0  0  0  0
    0.0886    4.4838    1.5764 H   0  0  0  0  0
   -2.8852    3.6335    1.6475 H   0  0  0  0  0
   -2.1452    4.9967    0.7110 H   0  0  0  0  0
   -2.0982    4.5423    3.7924 H   0  0  0  0  0
    0.0043    5.9663    4.8413 H   0  0  0  0  0
    0.8197    8.2746    5.1452 H   0  0  0  0  0
    0.1650   10.0513    3.5399 H   0  0  0  0  0
   -1.3300    9.4993    1.6381 H   0  0  0  0  0
   -2.1707    7.2098    1.3424 H   0  0  0  0  0
    1.2707    1.0221   -0.0877 H   0  0  0  0  0
    3.6450    0.1815   -1.8059 H   0  0  0  0  0
    3.2734    1.8545   -1.3391 H   0  0  0  0  0
    2.1374    0.9354   -2.3242 H   0  0  0  0  0
    1.1367   -1.4800    0.4273 H   0  0  0  0  0
    2.0550   -1.6706   -1.0903 H   0  0  0  0  0
    0.5247   -0.8230   -1.0870 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3218981

>  <PubChem CID>
90666082

>  <Formula>
C18H28N2O

>  <Molecular Weight>
288.435000

>  <IUPAC Name>
(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)N(CCNC(=O)C1CC1C2=CC=CC=C2)C(C)C

>  <Isomeric SMILES>
CC(C)N(CCNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)C(C)C

>  <InChI Std. ID>
InChI=1S/C18H28N2O/c1-13(2)20(14(3)4)11-10-19-18(21)17-12-16(17)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,19,21)/t16-,17+/m1/s1

>  <InChI Key>
AEWDDZISUFVJOR-SJORKVTESA-N

