60424426
  -OEChem-05132417382D

 47 48  0     0  0  0  0  0  0999 V2000
    4.5981    2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578    4.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1711    4.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    4.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3038    2.9564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    2.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    2.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60424426

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
379

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADQTBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOiMgNJiKEsRqEMCIkxhGKqYeAwBAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-propyl-prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-propyl-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-<I>N</I>-propylprop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-propylprop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-propyl-prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-propyl-acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H25NO3/c1-4-11-19(13-15-5-6-15)18(20)10-8-14-7-9-16(21-2)17(12-14)22-3/h7-10,12,15H,4-6,11,13H2,1-3H3/b10-8+

> <PUBCHEM_IUPAC_INCHIKEY>
GORASWIJEKKANW-CSKARUKUSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
303.18344366

> <PUBCHEM_MOLECULAR_FORMULA>
C18H25NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
303.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CC1CC1)C(=O)C=CC2=CC(=C(C=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CC1CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.18344366

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8

$$$$