| CID | 1199988 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 541 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 10 |
| pubchem_cactvs_subskeys | AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADCzBmA4yBoPABECIAqFSEAKCCAAkIAAIiIHODMgOJjKEtT+HOSjk1hGYqYeY3wJuIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(1R)-1-methylpropyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(1R)-1-methylpropyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | N-[(2R)-butan-2-yl]-5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[(3-fluorobenzyl)-p-anisyl-amino]methyl]-N-[(1R)-1-methylpropyl]-2-furamide |
| pubchem_nist_inchi | InChI=1S/C25H29FN2O3/c1-4-18(2)27-25(29)24-13-12-23(31-24)17-28(16-20-6-5-7-21(26)14-20)15-19-8-10-22(30-3)11-9-19/h5-14,18H,4,15-17H2,1-3H3,(H,27,29)/t18-/m1/s1 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 424.216221 |
| pubchem_molecular_formula | C25H29FN2O3 |
| pubchem_molecular_weight | 424.507763 |
| pubchem_openeye_can_smiles | CCC(C)NC(=O)C1=CC=C(O1)CN(CC2=CC=C(C=C2)OC)CC3=CC(=CC=C3)F |
| pubchem_openeye_iso_smiles | CC[C@@H](C)NC(=O)C1=CC=C(O1)CN(CC2=CC=C(C=C2)OC)CC3=CC(=CC=C3)F |
| pubchem_cactvs_tpsa | 54.7 |
| pubchem_monoisotopic_weight | 424.216221 |
| 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 | 10 16 8
11 20 8
11 21 8
13 22 8
13 23 8
15 17 8
16 17 8
2 10 8
2 15 8
20 25 8
21 26 8
22 28 8
23 29 8
25 27 8
26 27 8
28 30 8
29 30 8
12 6 6 |
