14718004 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 54 55 56 57 58 59 60 61 62 63 64 65 66 8 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 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 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 36 37 38 9 10 17 18 13 17 47 14 18 48 8 9 39 40 10 41 42 11 12 17 43 44 18 45 46 15 21 16 22 19 23 20 24 29 31 30 32 25 49 26 50 27 51 28 52 27 53 28 54 55 56 33 57 34 58 35 59 36 60 37 61 38 62 37 63 38 64 65 66 2 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 2 1 2 1 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 7.1962 9.7942 5.4641 11.5263 4.5981 12.3923 8.0622 8.9282 7.1962 9.7942 6.3301 10.6603 3.732 13.2583 2.866 14.1244 5.4641 11.5263 2.866 14.1244 3.732 13.2583 2 14.9904 2.866 14.1244 2 14.9904 2 14.9904 3.732 13.2583 2 14.9904 3.732 13.2583 2.866 14.1244 7.6636 8.4607 9.3267 8.5297 5.9316 6.7287 11.0588 10.2617 4.5981 12.3923 4.269 12.7214 1.4631 15.5273 2.866 14.1244 1.4631 15.5273 1.4631 15.5273 4.269 12.7214 1.4631 15.5273 4.269 12.7214 2.866 14.1244 1.25 -1.25 1.25 -1.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -1.25 1.25 1.25 -1.25 0.25 -0.25 1.75 -1.75 1.25 -1.25 -1.75 1.75 -1.75 1.75 -2.75 2.75 -2.75 2.75 -3.25 3.25 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.87 0.87 1.56 -1.56 -0.06 0.06 2.37 -2.37 1.56 -1.56 -1.44 1.44 -1.44 1.44 -3.06 3.06 -3.06 3.06 -3.87 3.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 13 13 14 14 15 16 19 19 20 20 21 22 23 24 25 26 29 30 31 32 33 34 35 36 15 21 16 22 23 24 29 31 30 32 25 26 27 28 27 28 33 34 35 36 37 38 37 38 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 733 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07F38000000000000000000000000000000000000003060C1800000000000015400001E00100000000C0C81980030C082C000008802A552500082000021020008880100648808203AC89191842008609400C8C8071988C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dioxo-N,N'-bis(2-phenylphenyl)octanediamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dioxo-N,N'-bis(2-phenylphenyl)octanediamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dioxo-<I>N</I>,<I>N</I>&apos;-bis(2-phenylphenyl)octanediamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dioxo-N,N'-bis(2-phenylphenyl)octanediamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-bis(oxidanylidene)-N,N'-bis(2-phenylphenyl)octanediamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-diketo-N,N'-bis(2-phenylphenyl)suberamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C32H28N2O4/c35-25(21-31(37)33-29-17-9-7-15-27(29)23-11-3-1-4-12-23)19-20-26(36)22-32(38)34-30-18-10-8-16-28(30)24-13-5-2-6-14-24/h1-18H,19-22H2,(H,33,37)(H,34,38) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OBXFVVFZDLHXJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 504.20490738 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C32H28N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 504.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CC(=O)CCC(=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CC(=O)CCC(=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 92.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 504.20490738 38 0 0 0 0 0 0 0 1 -1