52781030 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 47 48 49 50 51 52 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 13 13 14 14 16 16 16 17 17 18 19 19 20 20 21 21 21 22 22 23 23 24 25 26 26 27 27 28 12 15 24 28 10 12 34 15 21 44 7 8 29 30 9 13 11 31 32 12 14 15 16 33 19 20 17 35 18 36 37 38 39 18 40 41 22 42 23 43 24 45 46 25 47 25 48 26 49 27 50 28 51 52 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 10 4 15 16 33 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 47 48 49 50 51 52 6.3301 9.7942 10.6032 8.0622 8.9282 5.4641 6.3301 4.5981 7.1962 8.0622 3.732 7.1962 6.3301 8.0622 8.9282 7.1962 7.1962 8.0622 3.732 2.866 9.7942 2.866 2 9.7942 2 8.9852 9.2942 10.2942 5.8626 5.0656 4.1996 4.9966 7.5252 8.5991 5.7932 8.5991 7.5062 6.6592 6.8862 7.1962 8.5991 4.269 2.866 8.3913 10.0063 10.4048 2.866 1.4631 1.4631 8.3956 8.9298 10.6587 -1.0194 -0.0194 3.5684 -1.0194 1.4806 -2.5194 -3.0194 -3.0194 -2.5194 -0.0194 -2.5194 -1.5194 -4.0194 -3.0194 0.4806 0.4806 -4.5194 -4.0194 -1.5194 -3.0194 1.9806 -1.0194 -2.5194 2.9806 -1.5194 3.5684 4.5194 4.5194 -2.0445 -2.0445 -3.4944 -3.4944 -0.3294 -1.3294 -4.3294 -2.7094 1.0175 0.7906 -0.0564 -5.1394 -4.3294 -1.2094 -3.6394 1.7906 1.398 2.0882 -0.3994 -2.8294 -1.2094 3.3768 5.021 5.021 8 8 8 8 8 6 8 8 8 8 8 8 8 8 8 8 8 8 3 3 7 7 9 10 11 11 13 14 17 19 20 22 23 24 26 27 24 28 9 13 14 4 19 20 17 18 18 22 23 25 25 26 27 28 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 504 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 8 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-(2-phenylethyl)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-(2-phenylethyl)benzamide 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-(2-phenylethyl)benzamide 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-(2-phenylethyl)benzamide 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-(2-phenylethyl)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-phenethyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H24N2O3/c1-17(22(26)24-16-20-11-7-15-28-20)25-23(27)21-12-6-5-10-19(21)14-13-18-8-3-2-4-9-18/h2-12,15,17H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t17-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MFQHNXYJCQGNQQ-QGZVFWFLSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.17869263 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H24N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2CCC3=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=C2CCC3=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 2021.05.07 376.17869263 28 1 1 0 0 0 0 0 1 -1