28866855 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 8 8 9 9 10 11 12 12 12 13 13 13 15 16 16 17 17 18 18 19 20 20 20 15 20 14 8 14 26 7 30 31 6 7 9 12 21 22 10 10 11 11 23 24 25 27 28 29 14 15 16 17 18 32 19 33 19 34 35 36 37 38 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 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 3.403 6.001 4.269 2.5369 4.269 4.269 3.403 4.269 5.135 3.403 5.135 5.135 5.135 5.135 4.269 6.001 4.269 6.001 5.135 2.5369 3.6584 4.0569 5.672 2.866 5.672 3.732 4.825 5.672 5.445 2 2.5369 6.538 3.732 6.538 5.135 2.8469 2 2.2269 2 0.5 0.5 -2.5 -2.5 -3.5 -2 -0.5 -2 -1 -1 -4 2 1 2.5 2.5 3.5 3.5 4 2.5 -3.3923 -4.0826 -2.31 -0.69 -0.69 0.81 -4.5369 -4.31 -3.4631 -2.19 -3.12 2.19 3.81 3.81 4.62 3.0369 2.81 1.9631 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 8 9 13 13 15 16 17 18 7 9 10 10 11 11 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801066CC80C2636C4F5DB84316866F411C8E98798C8A08E08000000040A00001000000008140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-amino-4-ethyl-phenyl)-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-amino-4-ethylphenyl)-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-amino-4-ethylphenyl)-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-amino-4-ethylphenyl)-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-azanyl-4-ethyl-phenyl)-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-amino-4-ethyl-phenyl)-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H18N2O2/c1-3-11-8-9-12(10-14(11)17)18-16(19)13-6-4-5-7-15(13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QYPLILHXFSFZEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.136827821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H18N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.136827821 20 0 0 0 0 0 0 0 1 -1