| CID | 1199946 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 749 |
| pubchem_cactvs_hbond_acceptor | 7 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 12 |
| pubchem_cactvs_subskeys | AAADcfB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHgAQAAAADATBmAcyDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrk1hGeqYe437JuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-homoveratryl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C31H32N2O6/c1-35-26-11-8-22(16-29(26)36-2)14-15-32-31(34)28-13-10-25(39-28)20-33(18-23-6-4-3-5-7-23)19-24-9-12-27-30(17-24)38-21-37-27/h3-13,16-17H,14-15,18-21H2,1-2H3,(H,32,34) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 528.226037 |
| pubchem_molecular_formula | C31H32N2O6 |
| pubchem_molecular_weight | 528.59558 |
| pubchem_openeye_can_smiles | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)OC |
| pubchem_openeye_iso_smiles | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)OC |
| pubchem_cactvs_tpsa | 82.4 |
| pubchem_monoisotopic_weight | 528.226037 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 39 |
| 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 | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 1 13 8
1 21 8
12 15 8
12 16 8
13 18 8
14 22 8
14 23 8
15 17 8
16 20 8
17 19 8
18 24 8
19 20 8
21 24 8
22 30 8
23 31 8
29 33 8
29 34 8
30 32 8
31 32 8
33 35 8
34 37 8
35 36 8
36 37 8 |
