2886682 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 8 7 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 2 2 2 3 3 3 3 4 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 11 11 12 12 13 13 14 14 15 15 16 16 16 17 18 18 18 10 10 11 30 5 6 8 19 5 7 9 20 21 22 7 10 23 24 25 9 26 27 28 29 12 13 15 16 14 31 17 18 17 32 33 34 35 36 37 38 39 2 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 1 1 2 1 1 1 1 1 1 1 1 3 5 6 8 19 3 1 4 5 7 9 20 3 1 6 3 7 10 23 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 5.5622 3.9924 6.7839 7.0427 6.3061 5.4112 5.0692 8.1828 8.4417 4.9886 3.5698 2.5736 4.1434 3.7207 2.151 2 2.7245 4.2943 6.802 7.0287 6.6239 5.693 5.8432 4.8749 4.4834 7.9879 8.7768 9.0356 8.6366 3.6368 4.761 1.5333 2.5079 1.6444 1.4921 2.4625 3.7864 4.6499 4.8022 -0.7735 -0.0416 1.5439 2.5099 3.4925 0.9519 1.8916 1.0351 2.001 0.0456 -0.9479 -1.035 -1.767 -2.6733 -1.9413 -0.2159 -2.7605 -3.4925 0.9242 1.89 4.0248 3.5844 0.5072 2.4804 1.6884 0.4466 0.8573 1.8233 2.5896 0.4663 -1.713 -1.9954 0.1398 0.292 -0.5715 -3.3224 -3.8481 -4.0004 -3.1368 3 3 3 8 8 8 8 8 8 3 4 6 11 11 12 13 14 15 8 9 10 12 13 15 14 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000183000000306000000000000000010000001E00100000000D0881980032C082C00000880225525000820000210200088801006488082032C09191842008609400C8C8071888C08EC0000040000200008000048000240001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethylphenyl)norbornane-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethylphenyl)-2-bicyclo[2.2.1]heptanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethylphenyl)norbornane-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-4,7,12-14H,5-6,8-9H2,1-2H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VMNUJZBAOUTBFJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.162314293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H21NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C=C1)C)NC(=O)C2CC3CCC2C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C=C1)C)NC(=O)C2CC3CCC2C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.162314293 18 3 0 3 0 0 0 0 1 -1