60565585 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 53 54 55 56 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 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 1 1 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 9 10 10 10 12 12 12 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 26 27 27 27 28 28 28 11 13 16 26 18 28 8 13 37 11 12 38 8 9 10 29 11 30 31 32 33 34 35 36 14 39 40 15 16 17 18 19 20 21 41 23 24 42 22 43 22 44 45 25 46 25 47 48 27 49 50 51 52 53 54 55 56 2 2 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 1 1 2 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 8 5 7 11 30 3 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 53 54 55 56 7.1962 3.732 8.9282 2.866 5.4641 6.3301 4.5981 5.4641 4.5981 3.732 6.3301 7.1962 4.5981 7.1962 4.5981 8.0622 6.3301 3.732 5.4641 8.0622 6.3301 7.1962 3.732 5.4641 4.5981 9.7942 10.6603 2 4.5981 6.001 5.2181 4.5981 3.9781 3.422 3.1951 4.042 6.001 5.7932 7.4082 7.8067 5.7932 6.001 8.5991 5.7932 7.1962 3.1951 6.001 4.5981 10.1928 9.3957 10.3503 11.1972 10.9703 1.69 1.4631 2.31 -0.25 -1.25 2.75 -2.75 -1.25 1.25 0.25 -0.25 1.25 -0.25 0.25 1.75 -1.75 2.75 -2.75 3.25 3.25 -3.25 -3.25 4.25 4.25 4.75 -4.25 -4.25 -4.75 3.25 2.75 -3.25 -0.37 -0.56 1.25 1.87 1.25 0.2869 -0.56 -0.7869 -1.56 1.56 1.1674 1.8577 2.94 -2.94 4.56 4.56 5.37 -4.56 -4.56 -5.37 3.725 3.725 2.2131 2.44 3.2869 -2.7131 -3.56 -3.7869 3 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 15 16 17 18 19 20 21 23 24 7 16 17 18 19 20 21 23 24 22 22 25 25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 497 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00100000000D2CE19806320682C004008802215210008208002420000888818E0CC80C663684B53B963968E6F61188A98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-ethoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-ethoxybenzyl)carbamoyl]-2-methyl-propyl]-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H28N2O4/c1-5-28-18-12-8-6-10-16(18)14-23-22(26)20(15(2)3)24-21(25)17-11-7-9-13-19(17)27-4/h6-13,15,20H,5,14H2,1-4H3,(H,23,26)(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FEXVGPCDLVOEDR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.20490738 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H28N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C(C(C)C)NC(=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 2021.05.07 384.20490738 28 1 0 1 0 0 0 0 1 -1