60421491
  -OEChem-05142409562D

 45 46  0     1  0  0  0  0  0999 V2000
    2.8660   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    3.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -0.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -0.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2 16  2  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60421491

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
398

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoPABECIAqlSkACCCAAkIAAIiIEODMgMZjKEtRuWOSjm1hGIqYe4wKAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furanyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H22N2O3/c1-20(2)16(15-8-4-5-9-17(15)22-3)13-19-18(21)11-10-14-7-6-12-23-14/h4-12,16H,13H2,1-3H3,(H,19,21)/b11-10+

> <PUBCHEM_IUPAC_INCHIKEY>
DTRSCVHRORUTEI-ZHACJKMWSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
314.16304257

> <PUBCHEM_MOLECULAR_FORMULA>
C18H22N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
314.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(CNC(=O)C=CC1=CC=CO1)C2=CC=CC=C2OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(CNC(=O)/C=C/C1=CC=CO1)C2=CC=CC=C2OC

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.16304257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  14  8
13  15  8
14  15  8
20  21  8
21  22  8
22  23  8
3  20  8
3  23  8
6  7  3
8  10  8
8  9  8
9  13  8

$$$$