43417169 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 8 8 8 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 2 2 3 4 4 4 5 5 5 6 6 7 8 8 9 9 10 10 10 11 11 11 13 13 14 15 16 16 17 17 18 18 19 20 20 20 6 31 15 20 12 7 12 23 6 7 8 10 21 9 13 22 14 24 25 26 27 12 15 16 14 28 29 17 18 30 19 32 19 33 34 35 36 37 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 6 1 5 10 21 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 2.5369 7.7331 6.8671 5.135 4.269 3.403 5.135 4.269 6.001 3.403 6.001 6.001 5.135 6.001 6.8671 5.135 6.8671 5.135 6.001 8.5991 3.403 3.732 4.5981 6.538 4.023 3.403 2.783 5.135 6.538 4.5981 2 7.404 4.5981 6.001 8.9091 9.136 8.2891 -1.75 1.25 -0.25 -0.25 -1.75 -1.25 -1.25 -2.75 -1.75 -0.25 1.25 0.25 -3.25 -2.75 1.75 1.75 2.75 2.75 3.25 1.75 -1.87 -3.06 0.06 -1.44 -0.25 0.37 -0.25 -3.87 -3.06 1.44 -1.44 3.06 3.06 3.87 1.2131 2.06 2.2869 8 8 3 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 9 11 11 13 15 16 17 18 7 8 1 9 13 14 15 16 14 17 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 321 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 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000C1CA1980232C682C00600880225525000820800252200088801066CC80C3636C4B59B84716866F411C8F98798C8A08E00000000000A00000000000000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(1-hydroxyethyl)phenyl]-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(1-hydroxyethyl)phenyl]-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(1-hydroxyethyl)phenyl]-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(1-hydroxyethyl)phenyl]-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(1-hydroxyethyl)phenyl]-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(1-hydroxyethyl)phenyl]-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H17NO3/c1-11(18)12-7-3-5-9-14(12)17-16(19)13-8-4-6-10-15(13)20-2/h3-11,18H,1-2H3,(H,17,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DIZGCUAZMXFPDJ-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 2021.05.07 271.12084340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H17NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1NC(=O)C2=CC=CC=C2OC)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1NC(=O)C2=CC=CC=C2OC)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.12084340 20 1 0 1 0 0 0 0 1 -1