| CID | 1199960 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 591 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 11 |
| pubchem_cactvs_subskeys | AAADcfB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB0AAAHgAAAAAADATBmAcyDoMABECIAqFSEAKCCAAkIAAIiAHOjMgfJjKEtT+nOSrkxhGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N,N-dipropyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N,N-dipropyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N,N-dipropyl-furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N,N-dipropyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C27H32N2O4/c1-3-14-29(15-4-2)27(30)25-13-11-23(33-25)19-28(17-21-8-6-5-7-9-21)18-22-10-12-24-26(16-22)32-20-31-24/h5-13,16H,3-4,14-15,17-20H2,1-2H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 448.236208 |
| pubchem_molecular_formula | C27H32N2O4 |
| pubchem_molecular_weight | 448.55398 |
| pubchem_openeye_can_smiles | CCCN(CCC)C(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_openeye_iso_smiles | CCCN(CCC)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 | 448.236208 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 33 |
| 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 10 8
1 15 8
10 19 8
11 20 8
11 21 8
14 26 8
14 27 8
15 22 8
19 22 8
20 23 8
21 25 8
23 24 8
24 25 8
26 31 8
27 32 8
31 33 8
32 33 8 |
