5765244 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 10 11 11 12 13 14 14 15 15 17 17 18 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 29 29 29 16 29 12 19 28 18 8 12 34 13 18 39 8 9 30 31 32 33 10 11 14 35 15 36 13 17 16 37 16 38 19 40 20 21 22 23 26 41 24 42 25 43 27 44 27 45 28 46 47 48 49 50 51 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 13 6 12 17 19 40 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 2.866 5.4641 2.923 6.3301 3.732 5.4641 2.866 3.732 2.866 2 3.732 4.5981 4.5981 2 3.732 2.866 3.732 6.3301 3.732 7.1962 4.5411 7.1962 8.0622 8.0622 8.9282 4.232 8.9282 3.232 2 2.654 2.2554 3.9441 4.3426 3.1951 1.4631 4.269 1.4631 4.269 5.4641 3.1951 5.1307 6.6592 8.0622 8.0622 9.4651 4.5965 9.4651 2.8676 1.69 1.4631 2.31 -4.7694 0.7306 4.3184 1.2306 0.7306 2.7306 -0.7694 -0.2694 -1.7694 -2.2694 -2.2694 1.2306 2.2306 -3.2694 -3.2694 -3.7694 2.7306 2.2306 3.7306 2.7306 4.3184 3.7306 2.2306 4.2306 2.7306 5.2694 3.7306 5.2694 -5.2694 -0.1868 -0.8771 -0.852 -0.1618 1.0406 -1.9594 -1.9594 -3.5794 -3.5794 3.3506 2.4206 4.1268 4.0406 1.6106 4.8506 2.4206 5.771 4.0406 5.771 -4.7325 -5.5794 -5.8064 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 9 9 10 11 14 15 19 20 20 21 22 23 24 25 26 19 28 10 11 14 15 16 16 21 22 23 26 24 25 27 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C798C8808E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-2-(2-furyl)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-1-(2-furanyl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(<I>Z</I>)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-2-(2-furyl)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22N2O4/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)21(16-20-8-5-15-29-20)25-22(26)18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)/b21-16- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KVTPGALDBNFIJS-PGMHBOJBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.15795719 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)CCNC(=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 2021.10.14 80.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.15795719 29 0 0 0 1 1 0 0 1 -1