60403203 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 8 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 2 3 4 4 4 5 5 5 6 6 6 7 8 9 9 10 10 11 11 11 12 13 13 13 15 16 16 17 17 18 19 19 20 21 21 21 22 22 22 15 22 14 18 7 14 24 8 18 30 7 8 11 9 10 12 23 12 25 26 27 28 29 14 15 16 17 19 31 20 32 21 20 33 34 35 36 37 38 39 40 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 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 7.1962 6.3301 3.732 4.5981 2.866 3.732 4.5981 3.732 5.4641 4.5981 2.866 5.4641 5.4641 5.4641 6.3301 4.5981 6.3301 2.866 4.5981 5.4641 2 8.0622 6.001 4.0611 4.5981 3.176 2.3291 2.556 6.001 2.3291 4.0611 6.8671 4.0611 5.4641 1.69 1.4631 2.31 8.3722 8.5991 7.7522 2 0.5 -4 0.5 -2.5 -1 -0.5 -2 -1 -2.5 -0.5 -2 2 1 2.5 2.5 3.5 -3.5 3.5 4 -4 2.5 -0.69 0.81 -3.12 0.0369 -0.19 -1.0369 -2.31 -2.19 2.19 3.81 3.81 4.62 -3.4631 -4.31 -4.5369 1.9631 2.81 3.0369 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 9 10 13 13 15 16 17 19 7 8 9 10 12 12 15 16 17 19 20 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 399 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 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801066CC80C2636C4F5DB84316866F411C8E98798C8208E00000000040A00000000000008140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetamido-2-methyl-phenyl)-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetamido-2-methylphenyl)-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-acetamido-2-methylphenyl)-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetamido-2-methylphenyl)-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetamido-2-methyl-phenyl)-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetamido-2-methyl-phenyl)-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H18N2O3/c1-11-14(18-12(2)20)8-6-9-15(11)19-17(21)13-7-4-5-10-16(13)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QIGXZICRJNMNGW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2OC)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2OC)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.13174244 22 0 0 0 0 0 0 0 1 -1