56030403 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 44 45 46 47 48 49 50 51 52 53 8 8 8 7 7 6 6 6 6 6 6 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 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 10 10 11 11 12 12 13 14 14 15 16 17 17 18 18 19 19 20 21 22 22 23 23 23 24 24 25 25 26 26 26 27 27 28 28 29 14 23 9 21 9 10 36 13 21 41 7 8 30 31 9 32 33 11 12 13 17 15 34 16 35 18 15 16 37 38 19 39 20 40 20 42 43 22 24 25 26 44 45 27 46 28 47 48 49 50 29 51 29 52 53 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 44 45 46 47 48 49 50 51 52 53 3.732 8.9282 13.2583 9.7942 11.5263 7.1962 8.0622 6.3301 8.9282 10.6603 5.4641 6.3301 11.5263 4.5981 4.5981 5.4641 10.6603 12.3923 11.5263 12.3923 12.3923 12.3923 2.866 11.5263 13.2583 2 11.5263 13.2583 12.3923 6.7976 7.5947 8.4607 7.6636 5.4641 6.8671 9.7942 4.0611 5.4641 10.1233 12.9292 10.9893 11.5263 12.9292 2.4675 3.2646 10.9893 13.7953 2.31 1.4631 1.69 10.9893 13.7953 12.3923 0.25 -2.75 -0.25 -1.25 -0.25 -1.75 -1.25 -1.25 -1.75 -1.75 -1.75 -0.25 -1.25 -0.25 -1.25 0.25 -2.75 -1.75 -3.25 -2.75 0.25 1.25 -0.25 1.75 1.75 0.25 2.75 2.75 3.25 -2.225 -2.225 -0.7751 -0.7751 -2.37 0.06 -0.63 -1.56 0.87 -3.06 -1.44 0.06 -3.87 -3.06 -0.7249 -0.7249 1.44 1.44 0.7869 0.56 -0.2869 3.06 3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 12 13 14 14 17 18 19 22 22 24 25 27 28 11 12 13 17 15 16 18 15 16 19 20 20 24 25 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 510 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0CA1980232C682C00400880225525000820800252200088801067CC80C6632C4B59B963928E4D411C8E98798C8A08E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[3-(4-ethoxyphenyl)propanoylamino]phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-[3-(4-ethoxyphenyl)propanoylamino]phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[3-(4-ethoxyphenyl)propanoylamino]phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[3-(4-ethoxyphenyl)propanoylamino]phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3-p-phenetylpropanoylamino)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H24N2O3/c1-2-29-20-15-12-18(13-16-20)14-17-23(27)25-21-10-6-7-11-22(21)26-24(28)19-8-4-3-5-9-19/h3-13,15-16H,2,14,17H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NMPUIUZULWXITN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.17869263 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H24N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.17869263 29 0 0 0 0 0 0 0 1 -1