16196371
  -OEChem-05092414412D

 57 58  0     0  0  0  0  0  0999 V2000
    6.1359    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4048    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6728    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6728    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1369    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1369    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2708    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2708    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5422    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1403    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9373    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9248    6.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    6.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4660    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1369    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2719    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2719    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1359    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 57  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 43  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 25  2  0  0  0  0
 22 50  1  0  0  0  0
 23 26  1  0  0  0  0
 23 51  1  0  0  0  0
 24 27  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  2  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16196371

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAQAAAADAThmAYwBoPABACIAiFSEAICCAAgIAAIiIBOCIgOJiKEcR6HOCCk1hGYqAeAwOAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-benzylphenoxy)-N-(3-morpholinopropyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(4-morpholinyl)propyl]-2-[2-(phenylmethyl)phenoxy]acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-benzylphenoxy)-<I>N</I>-(3-morpholin-4-ylpropyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(2-benzylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-morpholin-4-ylpropyl)-2-[2-(phenylmethyl)phenoxy]ethanamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-benzylphenoxy)-N-(3-morpholinopropyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H28N2O3.ClH/c25-22(23-11-6-12-24-13-15-26-16-14-24)18-27-21-10-5-4-9-20(21)17-19-7-2-1-3-8-19;/h1-5,7-10H,6,11-18H2,(H,23,25);1H

> <PUBCHEM_IUPAC_INCHIKEY>
YJBWYXKKEBEOLN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
404.1866705

> <PUBCHEM_MOLECULAR_FORMULA>
C22H29ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
404.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CCCNC(=O)COC2=CC=CC=C2CC3=CC=CC=C3.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CCCNC(=O)COC2=CC=CC=C2CC3=CC=CC=C3.Cl

> <PUBCHEM_CACTVS_TPSA>
50.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.1866705

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  18  8
16  20  8
18  21  8
19  23  8
19  24  8
20  22  8
21  25  8
22  25  8
23  26  8
24  27  8
26  28  8
27  28  8

$$$$