| CID | 1199949 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 568 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB0AAAHgAQAAAADCzBmAcyDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrk1hGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[(1S)-1-methylpropyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[(1S)-1-methylpropyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-[(2S)-butan-2-yl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-[(1S)-1-methylpropyl]-2-furamide |
| pubchem_nist_inchi | InChI=1S/C25H28N2O4/c1-3-18(2)26-25(28)23-12-10-21(31-23)16-27(14-19-7-5-4-6-8-19)15-20-9-11-22-24(13-20)30-17-29-22/h4-13,18H,3,14-17H2,1-2H3,(H,26,28)/t18-/m0/s1 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 420.204907 |
| pubchem_molecular_formula | C25H28N2O4 |
| pubchem_molecular_weight | 420.50082 |
| pubchem_openeye_can_smiles | CCC(C)NC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_openeye_iso_smiles | CC[C@H](C)NC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 420.204907 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 31 |
| pubchem_atom_def_stereo_count | 1 |
| 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 14 8
10 15 8
11 18 8
12 25 8
12 26 8
14 17 8
15 22 8
17 20 8
18 21 8
19 21 8
20 22 8
25 29 8
26 30 8
29 31 8
30 31 8
13 6 6 |
