58816470 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 49 50 51 52 8 8 8 7 7 7 6 6 6 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 1 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 9 10 10 10 11 11 12 12 14 14 15 16 16 17 17 17 18 18 19 20 20 21 22 23 24 24 25 25 26 26 27 28 28 28 29 29 29 19 28 21 29 13 8 13 30 9 20 23 45 46 8 9 11 12 17 13 16 18 14 31 15 32 15 33 34 19 35 36 37 38 22 39 21 23 24 22 40 25 26 41 27 42 27 43 44 47 48 49 50 51 52 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 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 48 49 50 51 52 2.866 4.5981 3.732 5.4641 8.0622 9.7942 6.3301 5.4641 7.1962 4.5981 6.3301 4.5981 4.5981 5.4641 4.5981 3.732 7.1962 5.4641 3.732 8.9282 4.5981 5.4641 9.7942 8.9282 10.6603 9.7942 10.6603 2 5.4641 6.001 6.8671 4.0611 5.4641 4.0611 3.1951 6.5762 7.1962 7.8162 6.001 6.001 8.3913 11.1972 9.7942 11.1972 10.3312 9.2573 2.31 1.4631 1.69 5.1541 6.001 5.7741 -2.5 -3.5 1 1 2.5 3.5 2.5 2 2 -0.5 3.5 2.5 0.5 4 3.5 -1 1 -1 -2 2 -2.5 -2 2.5 1 2 0.5 1 -2 -4 0.69 3.81 2.19 4.62 3.81 -0.69 1 0.38 1 -0.69 -2.31 0.69 2.31 -0.12 0.69 3.81 3.81 -1.4631 -1.69 -2.5369 -4.5369 -4.31 -3.4631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 10 10 11 12 14 16 18 19 20 20 21 23 24 25 26 8 11 12 16 18 14 15 15 19 22 21 23 24 22 25 26 27 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 568 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 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 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C00400A8032572540082080025220008880136FCD80D66B2C4B59B84312A64D411CAE987BADC92CE20000100000240204000020000048040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[N-(2-aminophenyl)-C-methyl-carbonimidoyl]phenyl]-3,4-dimethoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[1-(2-aminophenyl)iminoethyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[<I>N</I>-(2-aminophenyl)-<I>C</I>-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[N-(2-aminophenyl)-C-methyl-carbonimidoyl]phenyl]-3,4-dimethoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[N-(2-aminophenyl)-C-methyl-carbonimidoyl]phenyl]-3,4-dimethoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H23N3O3/c1-15(25-20-11-7-5-9-18(20)24)17-8-4-6-10-19(17)26-23(27)16-12-13-21(28-2)22(14-16)29-3/h4-14H,24H2,1-3H3,(H,26,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LZBYNWXSFOZXND-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 2021.05.07 389.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NC1=CC=CC=C1N)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NC1=CC=CC=C1N)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 85.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.17394160 29 0 0 0 0 0 0 0 1 -1