2576 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 8 8 8 8 7 7 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 10 10 11 11 11 12 12 12 13 13 13 15 15 15 17 17 17 18 18 18 9 14 10 16 14 16 14 15 34 16 41 42 8 9 10 11 12 19 20 21 22 23 24 25 26 27 13 28 29 30 31 32 17 18 33 35 36 37 38 39 40 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 1 1 1 1 1 1 1 1 1 1 7 8 9 10 11 3 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 7.7331 4.269 8.5991 3.403 9.4651 2.5369 6.001 5.501 6.8671 5.135 6.501 6.001 5.501 8.5991 10.3312 3.403 11.1972 10.3312 5.0261 5.0261 7.2656 6.4685 4.7365 5.5335 5.9641 6.811 7.038 6.476 6.476 6.038 5.191 4.9641 9.7942 9.4651 10.8872 11.7341 11.5072 10.9512 10.3312 9.7112 2 2.5369 -0.549 -0.549 0.951 -2.049 -0.549 -0.549 -0.549 0.317 -0.049 -1.049 -1.4151 1.183 2.049 -0.049 -0.049 -1.049 -0.549 0.951 0.7155 -0.0815 0.4259 0.4259 -1.524 -1.524 -1.7251 -1.952 -1.1051 0.7845 1.5815 2.359 2.586 1.739 0.261 -1.169 -1.086 -0.859 -0.0121 0.951 1.571 0.951 -0.859 0.071 3 7 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 281 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733800000000000000000000000000000000000000000000000000000000000000001E00100000000E28E18006020802C004000800000018000000000000000000800800010000020000000800000516000000008000000D00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(carbamoyloxymethyl)-2-methyl-pentyl] N-isopropylcarbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-propan-2-ylcarbamic acid [2-(carbamoyloxymethyl)-2-methylpentyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(carbamoyloxymethyl)-2-methylpentyl] <I>N</I>-propan-2-ylcarbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(aminocarbonyloxymethyl)-2-methyl-pentyl] N-propan-2-ylcarbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-isopropylcarbamic acid [2-(carbamoyloxymethyl)-2-methyl-pentyl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OFZCIYFFPZCNJE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.17360725 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H24N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(C)(COC(=O)N)COC(=O)NC(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(C)(COC(=O)N)COC(=O)NC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 90.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.17360725 18 1 0 1 0 0 0 0 1 4