60387158 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 8 8 8 8 7 7 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 2 3 4 5 5 5 6 6 7 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 14 15 15 15 16 16 16 17 20 20 21 21 22 22 23 24 24 24 9 15 17 24 18 19 6 18 38 19 39 8 9 10 12 25 26 11 13 27 14 28 29 30 31 14 32 33 18 34 35 17 19 20 21 22 36 23 37 23 40 41 42 43 44 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 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 7.1962 2.866 7.1962 3.732 5.4641 5.4641 6.3301 5.4641 7.1962 6.3301 8.0622 4.5981 7.1962 8.0622 6.3301 4.5981 3.732 6.3301 4.5981 5.4641 3.732 5.4641 4.5981 2 5.0656 5.8626 5.7932 8.5991 4.9081 4.0611 4.2881 7.1962 8.5991 6.1181 5.7196 6.001 3.1951 4.9272 6.001 6.001 4.5981 1.69 1.4631 2.31 1.75 -2.75 -0.25 -1.25 -0.25 -1.25 3.25 2.75 2.75 4.25 3.25 3.25 4.75 4.25 1.25 -2.75 -3.25 0.25 -1.75 -3.25 -4.25 -4.25 -4.75 -3.25 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 0.06 -1.56 -4.56 -5.37 -2.7131 -3.56 -3.7869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 10 11 13 16 16 17 20 21 22 9 10 11 13 14 14 17 20 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 416 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 6 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 N'-[2-(2-ethylphenoxy)acetyl]-2-methoxy-benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[2-(2-ethylphenoxy)-1-oxoethyl]-2-methoxybenzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[2-(2-ethylphenoxy)acetyl]-2-methoxybenzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[2-(2-ethylphenoxy)acetyl]-2-methoxybenzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[2-(2-ethylphenoxy)ethanoyl]-2-methoxy-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[2-(2-ethylphenoxy)acetyl]-2-methoxy-benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H20N2O4/c1-3-13-8-4-6-10-15(13)24-12-17(21)19-20-18(22)14-9-5-7-11-16(14)23-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QRLOFYRPJGUNTQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2OC 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 2021.05.07 328.14230712 24 0 0 0 0 0 0 0 1 -1