1291333 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 8 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 2 3 4 5 5 5 6 6 6 7 7 8 8 9 10 11 12 13 14 15 15 15 16 16 17 17 17 18 18 19 19 20 20 20 21 21 21 22 22 23 23 24 9 20 10 21 13 14 7 13 27 8 14 28 9 11 10 12 12 11 25 26 15 16 17 29 30 18 19 31 32 33 22 34 23 35 36 37 38 39 40 41 24 42 24 43 44 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 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 6.3301 2.866 2.866 6.3301 4.5981 4.5981 4.5981 4.5981 5.4641 3.732 3.732 5.4641 3.732 5.4641 3.732 5.4641 2.866 4.5981 6.3301 7.1962 2 4.5981 6.3301 5.4641 3.1951 6.001 5.135 4.0611 3.9441 4.3426 2.556 2.3291 3.176 4.0611 6.8671 7.5062 7.7331 6.8862 1.69 1.4631 2.31 4.0611 6.8671 5.4641 -1.75 0.25 -2.75 1.25 -2.75 1.25 -1.75 0.25 -1.25 -0.25 -1.25 -0.25 -3.25 1.75 -4.25 2.75 -4.75 3.25 3.25 -1.25 -0.25 4.25 4.25 4.75 -1.56 0.06 -3.06 1.56 -4.8326 -4.1423 -4.2131 -5.06 -5.2869 2.94 2.94 -1.7869 -0.94 -0.7131 0.2869 -0.56 -0.7869 4.56 4.56 5.37 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 16 16 18 19 22 23 9 11 10 12 12 11 18 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 423 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801076CC80E2632C4B59B85312866D419D8E987D8D8038E01008002000010000201000400002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,5-dimethoxy-4-(propanoylamino)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,5-dimethoxy-4-(1-oxopropylamino)phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2,5-dimethoxy-4-(propanoylamino)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,5-dimethoxy-4-(propanoylamino)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,5-dimethoxy-4-(propanoylamino)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxy-4-propionamido-phenyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H20N2O4/c1-4-17(21)19-13-10-16(24-3)14(11-15(13)23-2)20-18(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OISQOKOTMCSSTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.14230712 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H20N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)NC1=CC(=C(C=C1OC)NC(=O)C2=CC=CC=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)NC1=CC(=C(C=C1OC)NC(=O)C2=CC=CC=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.14230712 24 0 0 0 0 0 0 0 1 -1