2927884 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 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 1 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 3 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 9 10 10 10 11 12 13 13 13 14 14 16 17 18 18 19 19 20 20 21 22 22 23 23 24 25 25 25 11 17 24 16 25 15 8 11 32 12 15 36 8 9 26 27 28 29 10 30 31 33 34 35 12 14 15 16 18 17 37 19 22 20 38 21 39 21 40 41 23 42 24 43 44 45 46 47 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 12 6 11 14 17 37 3 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 6.3301 5.4071 2.866 3.732 7.1962 5.4641 8.9282 8.0622 9.7942 10.6603 6.3301 5.4641 4.5981 4.5981 4.5981 3.732 4.5981 5.4641 3.732 5.4641 4.5981 3.7891 4.0981 5.0981 2 8.5297 9.3267 8.4607 7.6636 10.1928 9.3957 7.1962 10.3503 11.1972 10.9703 6.001 4.0611 6.001 3.1951 6.001 4.5981 3.1994 3.7336 5.4625 1.69 1.4631 2.31 2.2306 2.8184 -1.7694 -0.2694 0.7306 -0.2694 0.7306 1.2306 1.2306 0.7306 1.2306 0.7306 -1.7694 1.2306 -0.7694 -2.2694 2.2306 -2.2694 -3.2694 -3.2694 -3.7694 2.8184 3.7694 3.7694 -2.2694 0.2556 0.2556 1.7055 1.7055 1.7055 1.7055 0.1106 0.1936 0.4206 1.2675 -0.5794 0.9206 -1.9594 -3.5794 -3.5794 -4.3894 2.6268 4.271 4.271 -1.7325 -2.5794 -2.8064 8 8 1 8 8 8 8 8 8 8 8 8 2 2 12 13 13 16 17 18 19 20 22 23 17 24 14 16 18 19 22 20 21 21 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 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 00000371E07B380000000000000000000000000000012000000030000000000000000001C000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663684B53B963968E6F61188A9C798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(butylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(butylamino)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[3-(butylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(butylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(butylamino)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(butylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H22N2O4/c1-3-4-11-20-19(23)16(13-14-8-7-12-25-14)21-18(22)15-9-5-6-10-17(15)24-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,23)(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FUFKASFGWQOLNM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.15795719 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H22N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC(=O)C(=CC1=CC=CO1)NC(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC(=O)C(=CC1=CC=CO1)NC(=O)C2=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 2021.05.07 342.15795719 25 0 0 0 1 0 1 0 1 -1