| CID | 1199954 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 649 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 10 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHgAQAAAADATBmAcwDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrk1hGeqYe435JuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-phenethyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-phenethyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-phenethyl-furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-phenethyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C29H28N2O4/c32-29(30-16-15-22-7-3-1-4-8-22)27-14-12-25(35-27)20-31(18-23-9-5-2-6-10-23)19-24-11-13-26-28(17-24)34-21-33-26/h1-14,17H,15-16,18-21H2,(H,30,32) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 468.204907 |
| pubchem_molecular_formula | C29H28N2O4 |
| pubchem_molecular_weight | 468.54362 |
| pubchem_openeye_can_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCCC5=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)NCCC5=CC=CC=C5 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 468.204907 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 35 |
| 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 19 8
10 13 8
10 14 8
11 17 8
12 20 8
12 21 8
13 15 8
14 18 8
15 16 8
16 18 8
17 22 8
19 22 8
20 27 8
21 28 8
27 29 8
28 29 8
30 31 8
30 32 8
31 33 8
32 34 8
33 35 8
34 35 8 |
