| CID | 1199967 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 578 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAGAAAASJAAAAwYAAAAAAAAEgB0AAAHgAQAAAADCzBmAcwDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrk1hGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-cyclopropyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-cyclopropyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-cyclopropyl-furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-cyclopropyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C24H24N2O4/c27-24(25-19-7-8-19)22-11-9-20(30-22)15-26(13-17-4-2-1-3-5-17)14-18-6-10-21-23(12-18)29-16-28-21/h1-6,9-12,19H,7-8,13-16H2,(H,25,27) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 404.173607 |
| pubchem_molecular_formula | C24H24N2O4 |
| pubchem_molecular_weight | 404.45836 |
| pubchem_openeye_can_smiles | C1CC1NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_openeye_iso_smiles | C1CC1NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 404.173607 |
| 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 | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 1 11 8
1 13 8
11 16 8
13 17 8
16 17 8
18 20 8
18 21 8
19 25 8
19 26 8
20 22 8
21 24 8
22 23 8
23 24 8
25 28 8
26 29 8
28 30 8
29 30 8 |
