| CID | 1199970 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 580 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 10 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB0AAAHgAQAAAADQTBmAcyDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrk1hGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-isopentyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-isopentyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-(3-methylbutyl)furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-isoamyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C26H30N2O4/c1-19(2)12-13-27-26(29)24-11-9-22(32-24)17-28(15-20-6-4-3-5-7-20)16-21-8-10-23-25(14-21)31-18-30-23/h3-11,14,19H,12-13,15-18H2,1-2H3,(H,27,29) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 434.220557 |
| pubchem_molecular_formula | C26H30N2O4 |
| pubchem_molecular_weight | 434.5274 |
| pubchem_openeye_can_smiles | CC(C)CCNC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_openeye_iso_smiles | CC(C)CCNC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 434.220557 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 32 |
| 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 20 8
12 18 8
12 19 8
13 22 8
15 27 8
15 28 8
18 21 8
19 26 8
20 24 8
21 23 8
22 24 8
23 26 8
27 30 8
28 31 8
30 32 8
31 32 8 |
