71212881 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 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 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 11 12 12 13 13 14 15 15 16 16 16 17 17 18 18 19 19 19 20 21 22 22 23 23 24 24 25 26 9 9 15 37 25 26 5 8 9 27 6 28 29 7 11 10 12 30 31 32 16 33 34 13 35 14 36 14 38 39 17 18 40 41 42 20 43 21 44 20 21 22 45 46 23 24 25 47 26 48 49 50 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 4 5 8 9 27 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 4.5981 2.866 2.866 3.732 4.5981 4.5981 3.732 2.866 3.732 2.866 5.4641 3.732 5.4641 4.5981 2.866 2 3.732 2 2.866 3.732 2 2.866 2 3.732 2 3.732 3.732 4.8101 5.2087 3.176 2.3291 2.556 2.4675 3.2646 6.001 3.1951 2.3291 6.001 4.5981 2.31 1.4631 1.69 4.269 1.4631 4.269 1.4631 1.4631 4.269 1.4631 4.269 0.5 0.5 -5.5 2 2.5 3.5 4 2.5 1 3.5 4 5 5 5.5 -0.5 4 -1 -1 -2.5 -2 -2 -3.5 -4 -4 -5 -5 2.62 1.9174 2.6077 3.0369 2.81 1.9631 3.025 3.025 3.69 5.31 0.81 5.31 6.12 4.5369 4.31 3.4631 -0.69 -0.69 -2.31 -2.31 -3.69 -3.69 -5.31 -5.31 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 6 6 7 11 12 13 15 15 17 18 19 19 22 22 23 24 25 26 8 7 11 12 13 14 14 17 18 20 21 20 21 23 24 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 424 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000D08C19A043EC092C81000A8023577540082802031022008D821386498082072C09191842008609400C8C8071888C08E88000000001000001000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-N-[4-(4-pyridyl)phenyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-N-(4-pyridin-4-ylphenyl)propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-<I>N</I>-(4-pyridin-4-ylphenyl)propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-N-(4-pyridin-4-ylphenyl)propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-N-(4-pyridin-4-ylphenyl)propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-ethylphenyl)-2-methyl-N-[4-(4-pyridyl)phenyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H24N2O/c1-3-18-6-4-5-7-21(18)16-17(2)23(26)25-22-10-8-19(9-11-22)20-12-14-24-15-13-20/h4-15,17H,3,16H2,1-2H3,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CLAQYQCEOSPYRL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.188863393 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H24N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=CC=C1CC(C)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=CC=C1CC(C)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.188863393 26 1 0 1 0 0 0 0 1 -1