70541828
  -OEChem-05102422112D

 63 64  0     1  0  0  0  0  0999 V2000
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    6.1808    4.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    4.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -4.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.8988    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1808   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70541828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
565

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAAAAAADATBmAYyBoMABACIAiFSEACCCAAgIAAIiACOiMgNZyKEsTqUMCIlxhWKqYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-N-[2-[methyl-(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-N-[2-[methyl-[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-<I>N</I>-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-N-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-N-[2-[methyl-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(2-keto-2-pyrrolidino-ethyl)-methyl-amino]ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H33N3O5/c1-23(16-21(27)25-10-6-7-11-25)12-13-24(2)20(26)9-8-17-14-18(28-3)22(30-5)19(15-17)29-4/h8-9,14-15H,6-7,10-13,16H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
LVANSHREZCXRDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
419.24202116

> <PUBCHEM_MOLECULAR_FORMULA>
C22H33N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
419.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCN(C)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC)CC(=O)N2CCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCN(C)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC)CC(=O)N2CCCC2

> <PUBCHEM_CACTVS_TPSA>
71.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
419.24202116

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
20  21  1
22  23  8
22  24  8
23  26  8
24  25  8
25  27  8
26  27  8

$$$$