46933106 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 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 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 4 5 5 5 6 7 7 7 8 8 9 9 10 11 12 12 13 13 14 15 16 17 17 18 18 18 19 19 20 20 21 22 23 23 23 24 24 24 25 25 25 16 24 10 6 25 22 11 22 30 15 8 9 10 13 15 11 26 12 14 16 17 14 27 28 18 19 20 29 31 32 33 21 34 21 35 36 23 37 38 39 40 41 42 43 44 45 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 6 -1 3 15 8 18 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 8.0622 5.4641 2.866 7.1962 8.0622 3.732 6.3301 5.4641 7.1962 6.3301 7.1962 7.1962 5.4641 6.3301 4.5981 8.0622 7.1962 4.5981 8.9282 8.0622 8.9282 8.0622 8.9282 8.9282 2 7.7331 4.9272 6.3301 6.6592 8.5991 5.2181 4.5981 3.9781 9.4651 8.0622 9.4651 8.6182 9.4651 9.2382 8.6182 9.4651 9.2382 1.69 1.4631 2.31 0.25 1.75 0.25 -3.25 -1.75 -0.25 0.25 -0.25 -0.25 1.25 -1.25 1.75 -1.25 -1.75 0.25 1.25 2.75 1.25 1.75 3.25 2.75 -2.75 -3.25 -0.25 -0.25 0.06 -1.56 -2.37 3.06 -1.44 1.25 1.87 1.25 1.44 3.87 3.06 -3.7869 -3.56 -2.7131 -0.7869 -0.56 0.2869 0.2869 -0.56 -0.7869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 11 12 12 13 16 17 19 20 8 9 13 11 14 16 17 14 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 506 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00140000000C0C81980232C682D00400A803A5725000820800252200088801366CD80C26B6C4B59B84316864F411C8E9879CC8F08E88000040001800001000008000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxybenzoyl)-4-[(E)-N-methoxy-C-methyl-carbonimidoyl]phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(1E)-1-methoxyiminoethyl]-3-[(2-methoxyphenyl)-oxomethyl]phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-(2-methoxybenzoyl)-4-[(<I>E</I>)-<I>N</I>-methoxy-<I>C</I>-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxybenzoyl)-4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-3-(2-methoxyphenyl)carbonyl-phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-3-o-anisoyl-phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20N2O4/c1-12(21-25-4)15-10-9-14(20-13(2)22)11-17(15)19(23)16-7-5-6-8-18(16)24-3/h5-11H,1-4H3,(H,20,22)/b21-12+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AHXADMRWLJYBJZ-CIAFOILYSA-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 2021.05.07 340.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NOC)C1=C(C=C(C=C1)NC(=O)C)C(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C/C(=N\OC)/C1=C(C=C(C=C1)NC(=O)C)C(=O)C2=CC=CC=C2OC 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 2021.05.07 340.14230712 25 0 0 0 1 1 0 0 1 -1