42934316 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 8 8 8 8 7 7 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 2 3 4 5 5 5 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 15 15 16 17 18 18 19 19 20 21 21 22 23 23 23 24 24 24 25 26 26 26 8 10 6 15 20 25 11 25 42 12 12 13 14 9 18 19 20 15 27 28 16 17 23 16 29 17 30 31 32 33 34 21 35 22 36 24 22 37 38 39 40 41 43 44 45 26 46 47 48 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 6 -1 2 12 7 23 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 4.5981 6.3301 2.866 8.9282 7.1962 6.3301 7.1962 4.5981 3.732 5.4641 7.1962 7.1962 6.3301 8.0622 5.4641 6.3301 8.0622 5.4641 3.732 2.866 5.4641 4.5981 8.0622 2 8.0622 8.0622 5.6762 6.0747 5.7932 8.5991 5.252 4.8535 5.7932 8.5991 6.001 3.1951 6.001 4.5981 7.7522 8.5991 8.3722 6.6592 1.69 1.4631 2.31 8.6822 8.0622 7.4422 -3 -1 -3 4.5 4.5 -0 1.5 -4 -4.5 -2.5 3.5 0.5 2 2 -1.5 3 3 -4.5 -5.5 -4 -5.5 -6 -0 -4.5 5 6 -3.0826 -2.3923 1.69 1.69 -0.9174 -1.6077 3.31 3.31 -4.19 -5.81 -5.81 -6.62 -0.5369 -0.31 0.5369 4.81 -3.9631 -4.81 -5.0369 6 6.62 6 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 11 13 14 18 19 21 13 14 9 18 19 16 17 16 17 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 498 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00140000000C0CA1980232C682D00400A803A5725000820800252200088801366CD80D26B6C4B59B863968E4F411CAE98798C8A08E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(1E)-1-[2-(2-acetylphenoxy)ethoxyimino]ethyl]phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[(<I>E</I>)-<I>N</I>-[2-(2-acetylphenoxy)ethoxy]-<I>C</I>-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(E)-N-[2-(2-ethanoylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H22N2O4/c1-14(17-8-10-18(11-9-17)21-16(3)24)22-26-13-12-25-20-7-5-4-6-19(20)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,24)/b22-14+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 POSUZRODSIDFLM-HYARGMPZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.15795719 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H22N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=NOCCOC1=CC=CC=C1C(=O)C)C2=CC=C(C=C2)NC(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C/C(=N\OCCOC1=CC=CC=C1C(=O)C)/C2=CC=C(C=C2)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.15795719 26 0 0 0 1 1 0 0 1 -1