| CID | 1199950 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 634 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHgAQAAAADATBmAcwDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrkxhGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-benzyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-benzyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-(phenylmethyl)furan-2-carboxamide |
| pubchem_iupac_traditional_name | N-benzyl-5-[[benzyl(piperonyl)amino]methyl]-2-furamide |
| pubchem_nist_inchi | InChI=1S/C28H26N2O4/c31-28(29-16-21-7-3-1-4-8-21)26-14-12-24(34-26)19-30(17-22-9-5-2-6-10-22)18-23-11-13-25-27(15-23)33-20-32-25/h1-15H,16-20H2,(H,29,31) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 454.189257 |
| pubchem_molecular_formula | C28H26N2O4 |
| pubchem_molecular_weight | 454.51704 |
| pubchem_openeye_can_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC=CC=C5 |
| pubchem_openeye_iso_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC=CC=C5 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 454.189257 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 34 |
| 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 11 8
1 21 8
10 13 8
10 14 8
11 17 8
12 19 8
12 20 8
13 15 8
14 18 8
15 16 8
16 18 8
17 22 8
19 24 8
20 25 8
21 22 8
24 27 8
25 27 8
29 30 8
29 31 8
30 32 8
31 33 8
32 34 8
33 34 8 |
