155774
  -OEChem-04242400372D

 49 50  0     1  0  0  0  0  0999 V2000
    8.9282    5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    6.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    5.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    6.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    6.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    4.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    4.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 44  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5 24  1  0  0  0  0
  5 49  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 40  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 41  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 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
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
155774

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
358

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQCAAACBThkAYxBoPABgCIACBCEAACCAAgIAAIiIAOCIiPdiKGMRqXeCCu1hObuAfAQAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]-4-morpholinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)

> <PUBCHEM_IUPAC_INCHIKEY>
DXPOSRCHIDYWHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.6

> <PUBCHEM_EXACT_MASS>
339.17942091

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
339.39

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.17942091

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
19  20  8
19  21  8
17  2  3
20  22  8
21  23  8
22  24  8
23  24  8

$$$$