56174892 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 8 8 8 8 8 7 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 1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 14 14 15 16 16 16 18 19 19 20 20 21 21 22 22 23 24 24 25 26 26 26 27 27 27 15 25 10 18 26 13 17 9 13 29 10 12 35 14 17 38 10 11 28 30 31 32 15 33 34 14 36 37 20 17 18 19 21 22 39 24 40 23 41 23 42 43 25 44 45 27 46 47 48 49 50 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 9 6 10 11 28 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 48 49 50 9.8988 7.1962 3.732 8.0622 4.5981 7.1962 8.9282 6.3301 8.0622 8.0622 8.9282 8.9282 7.1962 6.3301 9.7942 5.4641 5.4641 4.5981 6.3301 10.7078 4.5981 6.3301 5.4641 11.3769 10.8769 2.866 2 8.0622 6.6592 8.6182 9.4651 9.2382 8.7162 8.3176 9.4651 6.1181 5.7196 6.8671 6.8671 10.8367 4.0611 6.8671 5.4641 11.9935 11.1291 2.4675 3.2646 2.31 1.4631 1.69 5.1433 2.6488 -3.3512 -0.8512 -1.8512 0.6488 2.6488 -1.8512 1.1488 2.1488 0.6488 3.6488 -0.3512 -0.8512 4.1488 -3.3512 -2.3512 -3.8512 -3.8512 3.742 -4.8512 -4.8512 -5.3512 4.4852 5.3512 -3.8512 -3.3512 0.5288 0.9588 0.1118 0.3388 1.1857 4.2314 3.5411 2.3388 -0.2686 -0.9589 -2.1612 -3.5412 3.1356 -5.1612 -5.1612 -5.9712 4.4204 5.9176 -4.3262 -4.3262 -2.8143 -3.0412 -3.8882 8 8 3 8 8 8 8 8 8 8 8 8 1 1 9 15 16 16 18 19 20 21 22 24 15 25 11 20 18 19 21 22 24 23 23 25 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 514 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000000000012000000030000000000000000001C000001E00100000000C2CE19806320682C004408802A95290008208002420000888818E0CC80E663684B53B973968E6F61198A98798D9228E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-[[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-<I>N</I>-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H23N3O5/c1-3-26-16-9-5-4-8-15(16)19(25)21-12-17(23)22-13(2)18(24)20-11-14-7-6-10-27-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,24)(H,21,25)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NSTSICUULWDLJY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.16377084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H23N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1C(=O)NCC(=O)NC(C)C(=O)NCC2=CC=CO2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1C(=O)NCC(=O)NC(C)C(=O)NCC2=CC=CO2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.16377084 27 1 0 1 0 0 0 0 1 -1