38300826 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 8 8 8 7 7 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 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 16 17 18 18 19 19 20 20 21 21 21 22 23 23 23 17 23 14 15 7 14 26 8 15 30 7 8 11 9 10 12 24 12 25 27 28 29 31 14 17 18 16 21 32 33 19 20 34 22 35 22 36 37 38 39 40 41 42 43 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 1 1 1 1 2 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 41 42 43 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 2.866 2 6.3301 4.5981 6.3301 4.5981 2 5.4641 8.0622 6.001 4.5981 4.0611 3.176 2.3291 2.556 2.3291 6.001 1.788 1.3894 4.0611 6.8671 4.0611 1.38 2 2.62 5.4641 8.3722 8.5991 7.7522 2.5 1 -3.5 1 -2 -0.5 -0 -1.5 -0.5 -2 -0 -1.5 2.5 1.5 -3 -3.5 3 3 4 4 -4.5 4.5 3 -0.19 -2.62 1.31 0.5369 0.31 -0.5369 -1.69 -1.81 -2.9174 -3.6077 2.69 4.31 4.31 -4.5 -5.12 -4.5 5.12 2.4631 3.31 3.5369 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 9 10 13 13 17 18 19 20 7 8 9 10 12 12 17 18 19 20 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 413 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 5 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 2-methoxy-N-[2-methyl-3-(propanoylamino)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-methyl-3-(1-oxopropylamino)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-<I>N</I>-[2-methyl-3-(propanoylamino)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-methyl-3-(propanoylamino)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-methyl-3-(propanoylamino)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-(2-methyl-3-propionamido-phenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H20N2O3/c1-4-17(21)19-14-9-7-10-15(12(14)2)20-18(22)13-8-5-6-11-16(13)23-3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NAPWQDBCQZWLIU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)NC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OC)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)NC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OC)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 2021.05.07 312.14739250 23 0 0 0 0 0 0 0 1 -1