67106851 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 52 53 54 55 56 57 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 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 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 11 12 12 13 13 14 15 15 16 17 17 18 18 20 20 20 21 21 22 22 23 23 24 24 25 25 26 27 28 28 29 29 30 30 30 31 31 31 32 21 25 14 19 7 9 12 19 22 44 20 30 31 8 14 10 11 10 13 33 17 18 15 34 16 35 19 16 36 37 23 38 24 39 21 40 41 42 43 27 28 26 45 26 46 27 29 47 48 32 49 32 50 51 52 53 54 55 56 57 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 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 52 53 54 55 56 57 5.2927 9.9211 7.2962 7.6857 8.5854 2.9785 8.6319 9.2155 7.6857 8.6319 10.2155 6.8197 6.8197 8.9426 5.9536 5.9536 10.7155 10.7155 8.2747 3.6464 4.6249 7.9176 11.7155 11.7155 6.2712 12.2155 6.939 8.2282 6.5819 2 3.2892 7.5604 8.8245 6.8197 6.8197 5.4167 5.4167 10.4055 10.4055 3.8776 3.12 4.3936 5.1512 9.1921 12.0255 12.0255 12.8355 6.7464 8.8349 6.1678 2.1279 1.3933 1.8721 2.6998 3.4818 3.8785 7.753 -1.6467 0.9181 0.5862 2.3796 -0.5705 -2.929 2.0748 2.8796 3.3796 3.6843 2.8796 1.8796 3.8796 1.1243 2.3796 3.3796 3.7456 2.0136 0.38 -2.1848 -2.391 -1.3148 3.7456 2.0136 -1.8529 2.8796 -1.1086 -2.2653 -2.8034 -2.7228 -3.8796 -3.0096 4.2736 1.2596 4.4996 2.0696 3.6896 4.2825 1.4766 -1.6095 -1.8571 -2.9662 -2.7186 -0.6984 4.2825 1.4766 2.8796 -0.5193 -2.3932 -3.2649 -2.1162 -2.595 -3.3295 -4.0722 -4.4689 -3.687 -3.599 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 7 8 9 9 11 11 12 13 15 17 18 22 22 23 24 25 25 28 29 7 9 12 8 10 10 13 17 18 15 16 16 23 24 27 28 26 26 27 29 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 634 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 1 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 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CE19E063EC6B3CC1C00A803B577540082882037222008D821BE6CD80E26FAC4F5BB873928E6D419D8E90798D9C39E80000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenyl-3-indolizinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-keto-2-(2-phenylindolizin-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H25N3O3/c1-28(2)15-16-32-22-13-8-11-20(17-22)27-26(31)25(30)24-23(19-9-4-3-5-10-19)18-21-12-6-7-14-29(21)24/h3-14,17-18H,15-16H2,1-2H3,(H,27,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ANXMXFKFZJURLH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 427.18959167 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H25N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 427.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)CCOC1=CC=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)CCOC1=CC=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 427.18959167 32 0 0 0 0 0 0 0 1 -1