| CID | 1199952 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 564 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB0AAAHgAAAAAADATBmAcyDoMABECIAqFSEAKCCAAkIAAIiAHOjMgfJjKEtT+nOSrkxhGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N,N-diethyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N,N-diethyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N,N-diethyl-furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N,N-diethyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C25H28N2O4/c1-3-27(4-2)25(28)23-13-11-21(31-23)17-26(15-19-8-6-5-7-9-19)16-20-10-12-22-24(14-20)30-18-29-22/h5-14H,3-4,15-18H2,1-2H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 420.204907 |
| pubchem_molecular_formula | C25H28N2O4 |
| pubchem_molecular_weight | 420.50082 |
| pubchem_openeye_can_smiles | CCN(CC)C(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_openeye_iso_smiles | CCN(CC)C(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_cactvs_tpsa | 55.2 |
| pubchem_monoisotopic_weight | 420.204907 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 31 |
| 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 | 1 |
| pubchem_bondannotations | 1 11 8
1 17 8
10 13 8
10 14 8
11 15 8
12 22 8
12 23 8
13 16 8
14 20 8
15 19 8
16 18 8
17 19 8
18 20 8
22 27 8
23 28 8
27 29 8
28 29 8 |
