44572379 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 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 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 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 13 13 13 14 15 16 16 17 17 18 18 19 19 20 20 20 21 21 22 22 23 24 25 25 26 26 27 27 27 28 9 10 9 4 9 38 5 6 29 7 30 31 8 32 33 8 34 35 36 37 12 14 12 15 16 39 14 15 17 40 41 18 19 21 22 23 42 24 43 23 24 27 25 46 26 47 44 45 28 48 28 49 50 51 52 53 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 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 7.1962 6.3301 8.0622 8.0622 7.2532 8.8712 7.5622 8.5622 7.1962 6.3301 5.4641 6.3301 4.5981 5.4641 4.5981 5.4641 3.732 6.3301 4.5981 5.4641 2.866 3.732 6.3301 4.5981 2 2.866 5.4641 2 7.5098 6.9432 6.6868 9.4376 9.1812 6.9557 7.627 8.4974 9.1686 8.5991 6.8671 5.4641 4.0611 6.8671 4.0611 6.8671 4.0611 2.866 4.269 1.4631 2.866 6.0841 5.4641 4.8441 1.4631 -0.9806 -2.4806 -2.4806 -3.4806 -4.0684 -4.0684 -5.0194 -5.0194 -1.9806 -0.4806 1.0194 0.5194 -0.4806 -0.9806 0.5194 2.0194 -0.9806 2.5194 2.5194 4.0194 -0.4806 -1.9806 3.5194 3.5194 -0.9806 -2.4806 5.0194 -1.9806 -3.1991 -3.5314 -4.3205 -4.3205 -3.5314 -5.1483 -5.636 -5.636 -5.1483 -2.1706 0.8294 -1.6006 0.8294 2.2094 2.2094 3.8294 3.8294 0.1394 -2.2906 -0.6706 -3.1006 5.0194 5.6394 5.0194 -2.2906 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 11 13 13 16 16 17 17 18 19 20 20 21 22 25 26 12 14 12 15 14 15 18 19 21 22 23 24 23 24 25 26 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 487 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001800000003060C0000000000000015000001E00100000000C2CC19804320E82C004008802204218000208002020000888800E08890C262284B11A8C322024D61108A80790C0F00EC0000300000000008000060000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-phenyl-5-(p-tolyl)phenyl] N-cyclopentylcarbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclopentylcarbamic acid [3-(4-methylphenyl)-5-phenylphenyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-(4-methylphenyl)-5-phenylphenyl] <I>N</I>-cyclopentylcarbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-(4-methylphenyl)-5-phenylphenyl] N-cyclopentylcarbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-(4-methylphenyl)-5-phenyl-phenyl] N-cyclopentylcarbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclopentylcarbamic acid [3-phenyl-5-(p-tolyl)phenyl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H25NO2/c1-18-11-13-20(14-12-18)22-15-21(19-7-3-2-4-8-19)16-24(17-22)28-25(27)26-23-9-5-6-10-23/h2-4,7-8,11-17,23H,5-6,9-10H2,1H3,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LQTIPVWKMVGQEN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.188529040 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H25NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)OC(=O)NC4CCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)OC(=O)NC4CCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.188529040 28 0 0 0 0 0 0 0 1 -1