55614787
  -OEChem-04242420492D

 50 52  0     1  0  0  0  0  0999 V2000
   11.4693    2.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    0.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    1.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7958    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5247    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -2.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -2.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55614787

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
438

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADCzhmAYyBoLABECIAqlSkACCCAAkIAAIiIEODMgNJj6EtRuGOWjm9hGKqYeYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-furyl)-1-methyl-ethyl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(2-furanyl)propan-2-yl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(furan-2-yl)propan-2-yl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(furan-2-yl)propan-2-yl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(furan-2-yl)propan-2-yl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-furyl)-1-methyl-ethyl]-2-(2-phenoxyethoxy)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23NO4/c1-17(16-19-10-7-13-25-19)23-22(24)20-11-5-6-12-21(20)27-15-14-26-18-8-3-2-4-9-18/h2-13,17H,14-16H2,1H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ZNBREOMBYXIHRW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
365.16270821

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
365.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CO1)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CC=CO1)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
60.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.16270821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
1  16  8
1  9  8
11  13  8
11  14  8
12  15  8
13  17  8
14  19  8
15  16  8
17  20  8
19  20  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
6  8  3
9  12  8

$$$$