| CID | 1199976 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 684 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHgAQAAAADAzBmAcyzoPABECIAqVSUAKCCAAlIgAIiAHO7MgfJjLEtb+nOSrk1BHe6Ye435JuqAABQAAQQABQAAKAACCAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3,4-dimethylphenyl)-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-(3,4-dimethylphenyl)-2-furamide |
| pubchem_nist_inchi | InChI=1S/C29H28N2O4/c1-20-8-10-24(14-21(20)2)30-29(32)27-13-11-25(35-27)18-31(16-22-6-4-3-5-7-22)17-23-9-12-26-28(15-23)34-19-33-26/h3-15H,16-19H2,1-2H3,(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 | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)C |
| pubchem_openeye_iso_smiles | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)C |
| 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 21 8
10 13 8
10 14 8
11 17 8
12 19 8
12 20 8
13 15 8
14 18 8
15 16 8
16 18 8
17 22 8
19 24 8
20 25 8
21 22 8
24 27 8
25 27 8
28 31 8
28 32 8
29 30 8
29 31 8
30 33 8
32 33 8 |
