6020846 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 8 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 2 3 3 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 10 11 11 12 13 13 14 15 15 16 17 17 18 19 20 20 21 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 29 10 21 12 19 29 18 8 12 34 14 18 39 8 9 30 31 32 33 10 11 13 15 35 14 16 36 17 16 37 38 19 40 20 22 23 24 41 42 43 25 44 26 45 27 46 29 49 28 47 28 48 50 51 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 14 6 12 17 40 19 2 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 2.866 7.1962 8.1667 6.3301 5.4641 5.4641 4.5981 5.4641 4.5981 3.732 5.4641 6.3301 3.732 6.3301 5.4641 4.5981 7.1962 5.4641 8.0622 4.5981 2 8.9757 3.732 4.5981 9.6448 2.866 3.732 2.866 9.1448 4.386 3.9875 5.6762 6.0747 4.9272 6.001 3.1951 6.001 4.5981 4.9272 7.1962 1.69 1.4631 2.31 9.1046 3.732 5.135 2.3291 3.732 10.2615 2.3291 9.397 -2.75 -0.25 0.2555 3.25 -0.25 1.75 -1.75 -1.25 -2.75 -3.25 -3.25 0.25 -4.25 1.25 -4.25 -4.75 1.75 2.75 1.25 3.25 -3.25 1.6567 2.75 4.25 0.9136 3.25 4.75 4.25 0.0476 -1.1674 -1.8577 -1.8326 -1.1423 0.06 -2.94 -4.56 -4.56 -5.37 1.44 2.37 -2.7131 -3.56 -3.7869 2.2632 2.13 4.56 2.94 5.37 0.9784 4.56 -0.5188 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 9 9 10 11 13 15 19 20 20 22 23 24 25 26 27 19 29 10 11 13 15 16 16 22 23 24 25 26 27 29 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 571 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C7B8C8A08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-1-(2-furanyl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(<I>E</I>)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-17(21)13-14-24-23(27)20(16-19-11-7-15-29-19)25-22(26)18-9-3-2-4-10-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)/b20-16+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CGWOJIGXPHSRQA-CAPFRKAQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.15795719 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H22N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CCNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 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 2021.05.07 390.15795719 29 0 0 0 1 1 0 0 1 -1