30097445 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 23 7 2 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 7.1962 3.732 10.6603 8.9282 8.0622 8.9282 3.732 2.866 5.4641 8.9282 8.9282 8.0622 9.7942 6.3301 8.0622 9.7942 3.732 2 2.866 2.866 2 9.7942 2 9.7942 9.7942 5.8626 5.0656 7.5252 10.3312 5.9316 6.7287 7.5252 10.3312 4.269 1.4631 2.866 1.4631 9.4842 10.3312 10.1042 8.3913 1.69 1.4631 2.31 10.4142 9.7942 9.1742 -2.25 -1.75 -3.75 2.25 2.25 -2.25 -0.75 -1.75 -2.25 -1.75 1.25 -1.75 -0.25 -0.25 -2.25 0.75 0.75 -0.75 -1.75 -3.25 -0.25 -0.75 -2.25 -3.75 2.75 3.75 -1.275 -1.275 -0.56 -0.56 -2.725 -2.725 1.06 1.06 -0.44 -2.06 0.37 -0.44 -2.7869 -2.56 -1.7131 2.56 -3.2131 -4.06 -4.2869 3.75 4.37 3.75 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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 498 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00140000000C0CA1980232C682D00400A803A5725000820800252200088801366CD80D26B6C4B59B863968E4F411CAE98798C8A08E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(Z)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(1Z)-1-[2-(2-acetylphenoxy)ethoxyimino]ethyl]phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-[(<I>Z</I>)-<I>N</I>-[2-(2-acetylphenoxy)ethoxy]-<I>C</I>-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(Z)-N-[2-(2-acetylphenoxy)ethoxy]-C-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(Z)-N-[2-(2-ethanoylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(Z)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 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 1.0.5 InChI iupac.org 2019.06.18 POSUZRODSIDFLM-HMAPJEAMSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.15795719 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NOCCOC1=CC=CC=C1C(=O)C)C2=CC=C(C=C2)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C/C(=N/OCCOC1=CC=CC=C1C(=O)C)/C2=CC=C(C=C2)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.15795719 26 0 0 0 1 1 0 0 1 -1