43601418 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 8 8 7 7 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 3 4 4 4 5 5 5 6 6 7 8 8 9 9 10 10 10 11 11 12 12 12 14 15 16 16 16 17 17 18 18 19 19 20 21 21 21 15 21 13 6 10 24 7 13 26 6 7 8 22 23 9 11 25 14 29 16 27 28 14 30 13 15 17 31 18 32 33 34 19 35 20 36 20 37 38 39 40 41 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 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 8.9282 8.0622 3.732 6.3301 5.4641 4.5981 6.3301 5.4641 7.1962 2.866 6.3301 7.1962 7.1962 7.1962 8.0622 2 6.3301 8.0622 6.3301 7.1962 9.7942 4.9966 4.1996 3.732 4.9272 5.7932 3.2646 2.4675 7.7331 6.3301 7.7331 1.69 1.4631 2.31 5.7932 8.5991 5.7932 7.1962 10.1042 10.3312 9.4842 1.25 -0.25 -1.75 -0.25 -1.75 -1.25 -1.25 -2.75 -1.75 -1.25 -3.25 1.25 0.25 -2.75 1.75 -1.75 1.75 2.75 2.75 3.25 1.75 -0.7751 -0.7751 -2.37 -3.06 0.06 -0.7751 -0.7751 -1.44 -3.87 -3.06 -1.2131 -2.06 -2.2869 1.44 3.06 3.06 3.87 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 9 11 12 12 15 17 18 19 7 8 9 11 14 14 15 17 18 19 20 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 322 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0CC1980632C682C004008802255250008208002522000888810E6CC80C2636C4F59B84316866F411C8E98798C8208E00000000000A00000000000000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(ethylaminomethyl)phenyl]-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(ethylaminomethyl)phenyl]-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(ethylaminomethyl)phenyl]-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(ethylaminomethyl)phenyl]-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(ethylaminomethyl)phenyl]-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(ethylaminomethyl)phenyl]-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H20N2O2/c1-3-18-12-13-8-4-6-10-15(13)19-17(20)14-9-5-7-11-16(14)21-2/h4-11,18H,3,12H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PXQKPNUFJUAIEL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNCC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNCC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.152477885 21 0 0 0 0 0 0 0 1 -1