71785 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 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 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 13 15 15 16 16 17 18 18 18 19 19 19 20 20 21 21 22 22 23 14 5 6 12 7 14 38 14 15 17 8 10 24 9 11 25 8 9 26 27 28 29 30 11 31 32 33 34 35 36 37 15 16 18 19 39 40 17 20 21 41 42 43 44 45 46 22 47 23 48 23 49 50 2 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 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 5 2 10 8 24 2 1 6 2 9 11 25 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 4.3211 5.4737 5.9674 4.6783 6.7014 7.3019 6.2781 5.6917 7.2297 7.965 8.5655 4.4836 4.6783 4.9889 5.2619 3.732 3.732 5.4883 4.3709 2.866 2.866 2 2 6.1911 7.8122 5.6656 5.2467 5.2007 7.8481 7.3481 7.6221 8.4714 9.0718 8.9083 4.3963 3.8698 4.571 6.3815 5.7227 5.7227 5.8519 5.9905 5.1248 4.9609 4.1803 3.7809 2.866 2.866 1.4631 1.4631 -0.2272 -3.2683 0.3109 1.4676 -3.2417 -2.442 -0.6397 -1.4497 -0.947 -4.0286 -3.229 -3.4092 3.0771 0.5171 2.2723 2.7723 1.7723 3.6634 4.0286 3.2723 1.2723 2.7723 1.7723 -3.9214 -1.7623 -0.5437 -1.018 -1.8283 -0.9916 -0.3384 -4.5452 -4.3864 -3.5867 -2.7124 -2.7954 -3.4966 -4.023 0.7723 1.8576 2.6871 3.1612 4.027 4.1657 4.2192 4.6186 3.8381 3.8923 0.6523 3.0823 1.4623 5 6 8 8 8 8 8 8 5 6 16 16 17 20 21 22 24 25 17 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 463 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000000000000000000000000000000162C000003C4000000600000058010000001E00100000000E28C1180433C083C00000880224425000820000210200088880086488882022C0D191842008689602C8C8271080C00F80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indoline-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-<I>N</I>-[(1<I>S</I>,5<I>R</I>)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2<I>H</I>-indole-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indoline-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)/t13?,14-,15+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ILXWRFDRNAKTDD-GOOCMWNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 313.215412493 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H27N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 313.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CN(C2=CC=CC=C21)C(=O)NC3CC4CCC(C3)N4C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CN(C2=CC=CC=C21)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 313.215412493 23 2 2 0 0 0 0 0 1 -1