52202780 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 8 8 8 8 7 7 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 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 12 12 13 13 13 14 14 16 16 17 18 19 19 20 20 21 21 22 23 23 23 10 18 17 23 11 15 7 11 30 13 15 34 8 9 24 10 25 26 27 28 29 12 15 16 33 14 31 32 17 19 18 35 20 36 21 37 22 38 22 39 40 41 42 43 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 1 7 5 8 9 24 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 8.1667 2.866 7.1962 4.5981 6.3301 5.4641 7.1962 7.1962 8.0622 8.0622 6.3301 8.9757 4.5981 4.5981 5.4641 9.6448 3.732 9.1448 5.4641 3.732 5.4641 4.5981 2 6.6592 6.9841 6.5856 7.7522 8.5991 8.3722 5.7932 4.386 3.9875 9.1046 6.001 10.2615 9.397 6.001 3.1951 6.001 4.5981 1.69 1.4631 2.31 4.3933 -2.6012 -0.1012 0.3988 1.3988 -1.1012 1.8988 2.8988 1.3988 3.3988 0.3988 2.992 -1.6012 -2.6012 -0.1012 3.7352 -3.1012 4.6012 -3.1012 -4.1012 -4.1012 -4.6012 -3.1012 2.2088 3.4814 2.7911 0.8618 1.0888 1.9357 1.7088 -1.0186 -1.7089 2.3856 -1.4112 3.6704 5.1676 -2.7912 -4.4112 -4.4112 -5.2212 -2.5643 -3.4112 -3.6382 8 8 5 8 8 8 8 8 8 8 8 8 1 1 7 10 12 14 14 16 17 19 20 21 10 18 5 12 16 17 19 18 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 402 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07B380000000000000000000000000000012000000030000000000000000001C000001E00100000000C2CE19806320682C004408802A95290008208002420000888818E0CC80C663A84B53B963928E6D61188A98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-[(1R)-2-(2-furyl)-1-methyl-ethyl]-N-[(2-methoxyphenyl)methyl]oxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-[(2R)-1-(2-furanyl)propan-2-yl]-N-[(2-methoxyphenyl)methyl]oxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>&apos;-[(2<I>R</I>)-1-(furan-2-yl)propan-2-yl]-<I>N</I>-[(2-methoxyphenyl)methyl]oxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-[(2R)-1-(furan-2-yl)propan-2-yl]-N-[(2-methoxyphenyl)methyl]oxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-[(2R)-1-(furan-2-yl)propan-2-yl]-N-[(2-methoxyphenyl)methyl]ethanediamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-[(1R)-2-(2-furyl)-1-methyl-ethyl]-N-o-anisyl-oxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H20N2O4/c1-12(10-14-7-5-9-23-14)19-17(21)16(20)18-11-13-6-3-4-8-15(13)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JMAZEQILJFSAIW-GFCCVEGCSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 316.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 316.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[C@H](CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 316.14230712 23 1 1 0 0 0 0 0 1 -1