60695549
  -OEChem-05112409372D

 43 44  0     1  0  0  0  0  0999 V2000
    5.5211    4.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7306    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
    7.1391    4.3184    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   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.1229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    4.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    5.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    5.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60695549

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBILABECIAqlSkACCCAAkIAAIiIGODMgMZjKEtTuWOSjk1hGIqYe8yKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-[[3-(2-furyl)-1-methyl-propyl]amino]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(2-furanyl)butan-2-ylamino]-N-(phenylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(furan-2-yl)butan-2-ylamino]-N-(phenylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-2-[[3-(2-furyl)-1-methyl-propyl]amino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22N2O2/c1-14(9-10-16-8-5-11-21-16)18-13-17(20)19-12-15-6-3-2-4-7-15/h2-8,11,14,18H,9-10,12-13H2,1H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
NUEPJGPJQZFKFY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
286.168127949

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
286.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCC1=CC=CO1)NCC(=O)NCC2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CCC1=CC=CO1)NCC(=O)NCC2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
54.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.168127949

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  10  8
1  16  8
10  12  8
12  15  8
14  17  8
14  18  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8
5  8  3

$$$$