60157962 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 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 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 7 7 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 23 23 23 9 16 16 6 11 13 16 17 42 6 8 9 24 12 25 8 10 11 26 27 28 10 29 30 31 32 33 14 34 35 15 36 37 15 38 39 40 41 18 19 20 43 21 44 22 45 22 46 23 47 48 49 1 1 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 2 1 1 1 2 1 2 1 1 1 1 1 1 1 5 6 8 9 24 3 1 6 3 5 12 25 1 1 7 8 10 11 26 3 1 9 1 5 10 29 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 6.9728 8.4728 3.0238 8.4728 5.0739 3.8528 5.3327 4.5961 6.4728 6.7316 3.2994 3.7962 2.0807 2.8636 2 7.9728 9.4728 9.9728 9.9728 10.9728 10.9728 11.4728 12.4728 5.5354 4.5575 5.702 4.9139 3.9829 6.0743 7.3256 6.9266 3.2944 2.6851 3.9732 4.4119 1.9174 1.4634 2.434 3.2306 1.3992 1.7464 8.1628 9.6628 9.6628 11.2828 11.2828 12.4728 13.0928 12.4728 -0.7957 0.0704 0.2727 -1.6617 0.5792 -0.2865 1.5451 2.5277 0.0704 1.0363 1.234 -1.3266 -0.1694 -1.7904 -1.2079 -0.7957 -1.6617 -2.5277 -0.7957 -2.5277 -0.7957 -1.6617 -1.6617 0.9932 -0.7618 2.0431 3.0601 2.6197 -0.4046 0.8585 1.6248 1.854 1.3178 -1.9208 -1.2538 0.4287 -0.2279 -2.2375 -2.2901 -1.0548 -1.7737 -2.1986 -3.0646 -0.2587 -3.0646 -0.2587 -2.2817 -1.6617 -1.0417 3 6 3 3 8 8 8 8 8 8 5 6 7 9 17 17 18 19 20 21 8 25 8 1 18 19 20 21 22 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 433 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001800000003C5880000580000000B10000001E00100000000D3CE1980632C883C00400880224425800820000210200088800086489082022C091918C2008669400C8C807B0D0E20E08000000000000001000000000000001800004000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2R)-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-(p-tolyl)carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methylphenyl)carbamic acid [(2R)-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2<I>R</I>)-7-azatricyclo[7.2.1.0<SUP>2,7</SUP>]dodecan-11-yl] <I>N</I>-(4-methylphenyl)carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2R)-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-(4-methylphenyl)carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2R)-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-(4-methylphenyl)carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(p-tolyl)carbamic acid [(2R)-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H26N2O2/c1-13-5-7-15(8-6-13)20-19(22)23-18-11-14-10-16(18)17-4-2-3-9-21(17)12-14/h5-8,14,16-18H,2-4,9-12H2,1H3,(H,20,22)/t14?,16?,17-,18?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XTPYGLSOEUERDD-WMWXFNABSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.199428076 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H26N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)NC(=O)OC2CC3CC2C4CCCCN4C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)NC(=O)OC2CC3CC2[C@H]4CCCCN4C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.199428076 23 4 1 3 0 0 0 0 1 -1