60398139 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 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 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 6 6 6 7 7 7 8 8 8 9 9 11 11 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 22 23 24 25 25 26 26 26 27 27 28 10 17 8 10 33 6 17 34 12 27 7 9 29 10 30 31 11 12 32 13 14 15 16 18 19 35 20 36 21 37 22 38 26 25 39 23 40 23 41 24 42 24 43 44 45 28 46 47 48 49 28 50 51 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 6 4 7 9 29 3 1 8 3 11 12 32 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 51 4.5981 6.3301 5.4641 5.4641 5.4641 6.3301 6.3301 4.5981 7.1962 5.4641 3.732 4.5981 8.0622 7.1962 3.732 2.866 5.4641 3.732 8.9282 8.0622 2.866 2 8.9282 2 3.732 4.5981 5.4641 4.5981 5.7932 6.9407 6.5422 4.5981 6.001 4.9272 8.0622 6.6592 4.269 2.866 3.1951 9.4651 8.0622 2.866 1.4631 9.4651 1.4631 3.1951 4.2881 4.0611 4.9081 6.001 4.5981 -1 -4 0.5 -2.5 2.5 -2 -1 1 -2.5 -0.5 0.5 2 -2 -3.5 -0.5 1 -3.5 2.5 -2.5 -4 -1 0.5 -3.5 -0.5 3.5 -4 3.5 4 -1.69 -1.1077 -0.4174 0.38 0.81 -2.19 -1.38 -3.81 -0.81 1.62 2.19 -2.19 -4.62 -1.62 0.81 -3.81 -0.81 3.81 -3.4631 -4.31 -4.5369 3.81 4.62 8 8 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 9 9 11 11 12 13 14 15 16 18 19 20 21 22 25 27 12 27 7 3 13 14 15 16 18 19 20 21 22 25 23 23 24 24 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 498 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C608000000000000001D000001E00100000000C28C19E043E8092C81000A8033577540082802031022008D8A13864980860FAC0D191942008609600C8C8071888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-N-[phenyl(2-pyridyl)methyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-N-[phenyl(2-pyridinyl)methyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-<I>N</I>-[phenyl(pyridin-2-yl)methyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-N-[phenyl(pyridin-2-yl)methyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-N-[phenyl(pyridin-2-yl)methyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-acetamido-3-phenyl-N-[phenyl(2-pyridyl)methyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H23N3O2/c1-17(27)25-21(18-10-4-2-5-11-18)16-22(28)26-23(19-12-6-3-7-13-19)20-14-8-9-15-24-20/h2-15,21,23H,16H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YVUAXVWYRKZKPH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.17902698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H23N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC(CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC(CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.17902698 28 2 0 2 0 0 0 0 1 -1