72076 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 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 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 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 12 14 13 15 14 15 14 16 40 15 17 41 8 9 12 13 10 28 29 11 30 31 11 32 33 34 35 36 37 38 39 18 20 19 21 22 42 23 43 24 44 25 45 26 46 27 47 26 48 27 49 50 51 1 1 1 1 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 1 1 2 1 2 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 6.2923 3.732 7.4512 4.5981 7.9865 2.866 4.5981 4.9071 3.5981 4.0981 3.2891 5.5491 4.5981 7.2433 3.732 8.9375 2.866 9.6807 3.732 9.1454 2 10.6317 3.732 10.0965 2 10.8396 2.866 5.4735 5.2171 2.9916 3.6629 4.5129 3.6832 2.9791 2.7227 5.2581 6.0377 4.8101 5.2087 7.8576 2.3291 9.5518 4.269 8.6847 1.4631 11.0925 4.269 10.2254 1.4631 11.4293 2.866 2.5907 0.7306 1.3035 -0.7694 2.9508 -0.7694 2.2306 3.1816 2.2306 3.7694 3.1816 1.9216 1.2306 2.2817 -0.2694 2.6418 -1.7694 3.3109 -2.2694 1.6636 -2.2694 3.0019 -3.2694 1.3546 -3.2694 2.0238 -3.7694 2.9295 3.7186 2.1017 1.614 4.2302 4.2302 3.7186 2.9295 1.3741 1.5398 0.648 1.3382 3.5573 -0.4594 3.9174 -1.9594 1.2488 -1.9594 3.4168 -3.5794 0.7482 -3.5794 1.8322 -4.3894 8 8 8 8 8 8 8 8 8 8 8 8 16 16 17 17 18 19 20 21 22 23 24 25 18 20 19 21 22 23 24 25 26 27 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 441 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800000000000000000000000000000180000000306000000000000000014000001E00100000000E08A1900230C882C00400880024425800820000210200088800006489082022C091918C200865940048C8079040000F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-phenylcarbamic acid [1-[[anilino(oxo)methoxy]methyl]cyclopentyl]methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl <I>N</I>-phenylcarbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-phenylcarbamic acid [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H24N2O4/c24-19(22-17-9-3-1-4-10-17)26-15-21(13-7-8-14-21)16-27-20(25)23-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IRZVVDMCEZNNCW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.17360725 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H24N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(C1)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(C1)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3 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 2021.10.14 368.17360725 27 0 0 0 0 0 0 0 1 -1