60424519
  -OEChem-04192423092D

 51 52  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
    6.3301   -2.9330    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
    8.1962    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
    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
    5.4641   -2.4330    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
    4.5981   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4330    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
    3.7320   -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
    8.3038    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
    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
    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
    7.5062   -2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -1.8961    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
    3.4220   -3.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  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 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60424519

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
408

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADQTBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOiMgNJyKEsRqEMCIlxhWKqYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-(cyclopropylmethyl)-<I>N</I>-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H27NO4/c1-5-10-20(13-14-6-7-14)18(21)9-8-15-11-16(22-2)19(24-4)17(12-15)23-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3/b9-8+

> <PUBCHEM_IUPAC_INCHIKEY>
YUNNKUGQEJEKCO-CMDGGOBGSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
333.19400834

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
333.4

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

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

> <PUBCHEM_CACTVS_TPSA>
48

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.19400834

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
16  17  8
16  18  8
17  20  8
18  19  8
19  21  8
20  21  8

$$$$