975515 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 7 7 7 7 8 9 9 9 11 11 12 12 13 13 13 15 15 15 16 16 17 18 19 19 20 20 21 21 22 23 23 23 18 23 10 14 6 10 28 8 14 29 8 11 9 10 24 25 12 15 26 27 16 30 17 31 14 18 19 32 33 34 17 35 36 20 21 37 22 38 22 39 40 41 42 43 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 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 39 40 41 42 43 9.7942 4.5981 8.9282 5.4641 7.1962 6.3301 3.732 7.1962 2.866 4.5981 6.3301 8.0622 8.0622 8.0622 2 7.1962 8.0622 8.9282 7.1962 8.9282 7.1962 8.0622 10.6603 4.1306 3.3335 2.4675 3.2646 5.4641 6.6592 5.7932 8.5991 2.31 1.4631 1.69 7.1962 8.5991 6.6592 9.4651 6.6592 8.0622 10.9703 11.1972 10.3503 1.25 -2.75 -0.25 -1.25 -0.25 -1.75 -1.25 -1.25 -1.75 -1.75 -2.75 -1.75 1.25 0.25 -1.25 -3.25 -2.75 1.75 1.75 2.75 2.75 3.25 1.75 -0.7751 -0.7751 -2.225 -2.225 -0.63 0.06 -3.06 -1.44 -0.7131 -0.94 -1.7869 -3.87 -3.06 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 6 6 8 11 12 13 13 16 18 19 20 21 8 11 12 16 17 18 19 17 20 21 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 400 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 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(butanoylamino)phenyl]-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-(1-oxobutylamino)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(butanoylamino)phenyl]-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(butanoylamino)phenyl]-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(butanoylamino)phenyl]-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-butyramidophenyl)-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H20N2O3/c1-3-8-17(21)19-14-10-5-6-11-15(14)20-18(22)13-9-4-7-12-16(13)23-2/h4-7,9-12H,3,8H2,1-2H3,(H,19,21)(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LQBBAUVOAWZLNR-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 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC(=O)NC1=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 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