24686765 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 53 54 55 56 57 8 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 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 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 25 27 27 27 28 28 28 29 29 29 9 26 29 5 6 33 9 13 36 8 9 30 7 31 32 10 34 35 11 12 14 15 20 37 21 38 16 17 24 39 25 40 18 41 19 42 22 27 22 28 23 43 23 44 45 46 26 47 26 48 49 50 51 52 53 54 55 56 57 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 3 8 9 30 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 52 53 54 55 56 57 5.4641 2.866 3.732 3.732 4.5981 3.732 2.866 5.4641 4.5981 2.866 5.4641 6.3301 3.732 3.732 2 2.866 4.5981 2.866 4.5981 6.3301 7.1962 3.732 7.1962 3.732 2 2.866 2 5.4641 2 4.5981 4.3426 3.9441 3.1951 2.2554 2.654 3.1951 4.9272 6.3301 4.269 1.4631 2.3291 5.135 6.3301 7.7331 3.732 7.7331 4.269 1.4631 1.69 1.4631 2.31 5.1541 6.001 5.7741 2.31 1.4631 1.69 -2.5 5 -0.5 -2.5 -1 0.5 1 -0.5 -2 2 0.5 -1 -3.5 2.5 2.5 -4 -4 -5 -5 1 -0.5 -5.5 0.5 3.5 3.5 4 -5.5 -5.5 5.5 -0.38 0.3923 1.0826 -0.81 1.1077 0.4174 -2.19 0.81 -1.62 2.19 2.19 -3.69 -3.69 1.62 -0.81 -6.12 0.81 3.81 3.81 -4.9631 -5.81 -6.0369 -6.0369 -5.81 -4.9631 6.0369 5.81 4.9631 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 8 8 10 10 11 12 13 13 14 15 16 17 18 19 20 21 24 25 9 11 12 14 15 20 21 16 17 24 25 18 19 22 22 23 23 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 473 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C2CC1980632C682C004008802255250008208002122000888818E6C880C6632C4B5BB94302864D411C8E80798C8C08E20000240000000004000048000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H28N2O2/c1-18-15-19(2)17-22(16-18)27-25(28)24(21-7-5-4-6-8-21)26-14-13-20-9-11-23(29-3)12-10-20/h4-12,15-17,24,26H,13-14H2,1-3H3,(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GVXRDZHLNKCMEZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.215078140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H28N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)NCCC3=CC=C(C=C3)OC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)NCCC3=CC=C(C=C3)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.215078140 29 1 0 1 0 0 0 0 1 -1