44564050 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 8 8 8 8 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 2 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 13 13 14 14 15 16 16 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 26 27 27 29 29 29 12 15 17 28 29 12 13 41 7 8 12 30 9 31 32 10 33 34 11 35 36 11 37 38 39 40 14 15 17 19 16 18 20 18 21 22 23 24 42 25 43 26 44 27 45 25 46 47 28 48 28 49 50 51 52 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 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 44 45 46 47 48 49 50 51 52 5.4641 6.3301 6.3301 2 4.5981 3.732 2.866 3.732 2 2.866 2 4.5981 5.4641 5.4641 6.3301 7.1962 6.3301 7.1962 4.5981 8.0901 8.0901 4.5981 3.732 8.9962 8.9962 3.732 2.866 2.866 2 3.732 3.2646 2.4675 3.9441 4.3426 1.788 1.3894 2.4675 3.2646 1.3894 1.788 4.0611 8.0829 8.0829 5.135 3.732 9.5319 9.5319 3.732 2.3291 2.62 2 1.38 -2.25 -1.75 2.25 2.75 -0.75 -2.25 -1.75 -3.25 -2.25 -3.75 -3.25 -1.75 -0.25 0.75 -0.75 -0.25 1.25 0.75 1.25 -0.7847 1.2847 2.25 0.75 -0.2708 0.7708 2.75 1.25 2.25 3.75 -1.63 -1.275 -1.275 -3.8326 -3.1423 -1.6674 -2.3577 -4.225 -4.225 -3.1423 -3.8326 -0.44 -1.4046 1.9046 2.56 0.13 -0.5829 1.0829 3.37 0.94 3.75 4.37 3.75 8 8 8 8 8 8 8 8 8 8 8 8 16 16 18 19 19 20 21 22 23 24 26 27 18 20 21 22 23 24 25 26 27 25 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 683 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A38000000000000000000000000000000000000003060C1000000000000814000001E00100000000D0C819802320682C004008802A55250000208002420000888018608C80C263284B53B84312024D41188A9C799C9E08EA0000000001000004000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-methoxyphenyl)-1,4-dioxo-2-naphthyl]cyclohexanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-methoxyphenyl)-1,4-dioxo-2-naphthalenyl]cyclohexanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[3-(4-methoxyphenyl)-1,4-dioxonaphthalen-2-yl]cyclohexanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-methoxyphenyl)-1,4-dioxonaphthalen-2-yl]cyclohexanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-methoxyphenyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]cyclohexanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1,4-diketo-3-(4-methoxyphenyl)-2-naphthyl]cyclohexanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H23NO4/c1-29-17-13-11-15(12-14-17)20-21(25-24(28)16-7-3-2-4-8-16)23(27)19-10-6-5-9-18(19)22(20)26/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FFFQFJFPOSJSQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.16270821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H23NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 72.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.16270821 29 0 0 0 0 0 0 0 1 -1