52781026 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 11 11 11 12 12 13 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 22 23 23 24 25 25 26 16 26 9 10 6 10 28 9 13 32 9 11 27 8 10 14 12 15 29 30 31 19 20 16 33 34 17 35 18 36 21 18 37 38 22 39 23 40 25 41 24 42 24 43 44 26 45 46 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 6 4 9 11 27 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8.8712 8.0622 4.5981 6.3301 7.1962 6.3301 5.4641 4.5981 7.1962 5.4641 5.4641 3.732 8.0622 6.3301 4.5981 8.0622 6.3301 5.4641 2.866 3.732 7.2532 2 2.866 2 7.5622 8.5622 6.8671 6.8671 5.7741 4.9272 5.1541 6.6592 8.2742 8.6728 6.8671 4.0611 6.8671 5.4641 2.866 4.269 6.6635 1.4631 2.866 1.4631 7.1978 8.9266 3.5684 -0.0194 -1.0194 -1.0194 1.4806 -0.0194 -2.5194 -3.0194 0.4806 -1.5194 0.4806 -2.5194 1.9806 -3.0194 -4.0194 2.9806 -4.0194 -4.5194 -3.0194 -1.5194 3.5684 -2.5194 -1.0194 -1.5194 4.5194 4.5194 -0.3294 -1.3294 1.0175 0.7906 -0.0564 1.7906 1.398 2.0882 -2.7094 -4.3294 -4.3294 -5.1394 -3.6394 -1.2094 3.3768 -2.8294 -0.3994 -1.2094 5.021 5.021 8 8 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 7 7 8 12 12 14 15 16 17 19 20 21 22 23 25 16 26 4 8 14 15 19 20 17 18 21 18 22 23 25 24 24 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 476 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000012000000030600000000000000001D000001E00100000000C2CE19806320482C004408802A95290008208002420000888818E0CC80E663284B53B973928E4D61198A9879899C28E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-2-phenyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-2-phenylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(2<I>R</I>)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-phenylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-phenylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-2-phenyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-2-phenyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H20N2O3/c1-15(20(24)22-14-17-10-7-13-26-17)23-21(25)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YUAKZUAIBCOPIO-OAHLLOKOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[C@H](C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.14739250 26 1 1 0 0 0 0 0 1 -1