70322424 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 52 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 1 1 2 2 2 3 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 22 23 24 24 25 25 26 26 27 9 9 10 37 15 22 44 23 26 6 7 8 28 9 29 30 11 13 12 14 15 31 32 16 33 17 34 18 35 19 36 38 39 20 40 21 41 20 42 21 43 47 48 23 45 46 24 25 49 27 50 27 51 52 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 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 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 52 6.3301 4.5981 3.732 3.732 6.3301 5.4641 6.3301 7.1962 5.4641 4.5981 7.1962 8.0622 5.4641 7.1962 3.732 7.1962 8.9282 5.4641 8.0622 6.3301 8.9282 2.866 2.866 2 2 3.732 2.866 5.7932 4.8535 5.252 5.2087 4.8101 7.7331 8.0622 4.9272 6.6592 4.0611 3.1215 3.52 7.7331 9.4651 4.9272 8.0622 4.269 2.2554 2.654 6.3301 9.4651 1.4631 1.4631 4.269 2.866 -0.5 -0.5 2 4 -2.5 -2 -3.5 -2 -1 0.5 -4 -2.5 -4 -1 1 -5 -2 -5 -0.5 -5.5 -1 2.5 3.5 4 5 5 5.5 -2.81 -1.8923 -2.5826 0.3923 1.0826 -3.69 -3.12 -3.69 -0.69 -0.81 1.1077 0.4174 -5.31 -2.31 -5.31 0.12 2.31 2.6077 1.9174 -6.12 -0.69 3.69 5.31 5.31 6.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 11 12 13 14 16 17 18 19 23 24 25 26 23 26 11 13 12 14 16 17 18 19 20 21 20 21 24 25 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 398 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000D08C19E043C8092C81000A8033577540082802031022008D8A13864980860F2C09191942008609600C8C8071888C08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-N-[2-(2-pyridylmethylamino)ethyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-N-[2-(2-pyridinylmethylamino)ethyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-<I>N</I>-[2-(pyridin-2-ylmethylamino)ethyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-N-[2-(pyridin-2-ylmethylamino)ethyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-N-[2-(pyridin-2-ylmethylamino)ethyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-diphenyl-N-[2-(2-pyridylmethylamino)ethyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H25N3O/c27-23(26-16-15-24-18-21-13-7-8-14-25-21)17-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24H,15-18H2,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZWIQFVZPYAVFPD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.199762429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H25N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(CC(=O)NCCNCC2=CC=CC=N2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(CC(=O)NCCNCC2=CC=CC=N2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 54 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.199762429 27 0 0 0 0 0 0 0 1 -1