117459
  -OEChem-05241306422D

 48 47  0     0  0  0  0  0  0999 V2000
    6.0010    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9713    0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3513    1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -0.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  1  0  0  0  0
  2 47  1  0  0  0  0
  3 19  1  0  0  0  0
  3 48  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  2  3  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
117459

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
236

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACADhgAYCAAMAAgCIACFSEACAAAAgAAAICAAIAEgCEAIAAQAAAAAAhgCYAYMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-bis(2-hydroxyethyl)undec-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-bis(2-hydroxyethyl)-2-undecenamide

> <PUBCHEM_IUPAC_NAME>
N,N-bis(2-hydroxyethyl)undec-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-bis(2-hydroxyethyl)undec-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-bis(2-hydroxyethyl)undec-2-enamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h9-10,17-18H,2-8,11-14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LACWVMIHIJKPTF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
271.214744

> <PUBCHEM_MOLECULAR_FORMULA>
C15H29NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
271.39566

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CC(=O)N(CCO)CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC=CC(=O)N(CCO)CCO

> <PUBCHEM_CACTVS_TPSA>
60.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.214744

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  1

$$$$