60387102 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 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 1 1 2 2 3 4 5 5 5 6 6 7 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 13 14 14 15 16 16 16 17 18 18 20 20 22 22 23 24 24 24 25 25 25 9 16 17 24 19 21 6 19 41 21 42 8 9 10 12 26 27 11 14 28 15 29 30 31 32 17 18 19 15 33 34 21 35 36 20 22 37 23 38 23 39 40 25 43 44 45 46 47 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 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 8.0622 3.732 4.5981 8.0622 6.3301 6.3301 7.1962 6.3301 8.0622 7.1962 8.9282 5.4641 5.4641 8.0622 8.9282 7.1962 4.5981 6.3301 5.4641 4.5981 7.1962 6.3301 5.4641 2.866 2 5.9316 6.7287 6.6592 9.4651 5.7741 4.9272 5.1541 8.0622 9.4651 6.9841 6.5856 6.8671 4.0611 6.8671 5.4641 6.8671 5.7932 2.4675 3.2646 2.31 1.4631 1.69 1.75 -2.75 -1.25 -0.25 -1.25 -0.25 3.25 2.75 2.75 4.25 3.25 3.25 -2.75 4.75 4.25 1.25 -3.25 -3.25 -1.75 -4.25 0.25 -4.25 -4.75 -3.25 -2.75 2.275 2.275 4.56 2.94 3.7869 3.56 2.7131 5.37 4.56 1.8326 1.1423 -2.94 -4.56 -4.56 -5.37 -1.56 0.06 -3.725 -3.725 -2.2131 -2.44 -3.2869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 10 11 13 13 14 17 18 20 22 9 10 11 14 15 17 18 15 20 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 430 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00180000000C04A198023206806204008802215210028208002420021AA801460CC80E263684B51F833960E6F01108A98798C8A08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N'-[2-(2-ethylphenoxy)acetyl]benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N'-[2-(2-ethylphenoxy)-1-oxoethyl]benzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-<I>N</I>&apos;-[2-(2-ethylphenoxy)acetyl]benzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N'-[2-(2-ethylphenoxy)acetyl]benzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N'-[2-(2-ethylphenoxy)ethanoyl]benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N'-[2-(2-ethylphenoxy)acetyl]benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H22N2O4/c1-3-14-9-5-7-11-16(14)25-13-18(22)20-21-19(23)15-10-6-8-12-17(15)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DOTPUDXQAIYZTJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.15795719 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H22N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2OCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2OCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 76.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.15795719 25 0 0 0 0 0 0 0 1 -1