71301384 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 11 8 8 7 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 3 -1 1 2 3 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 3 17 4 17 43 6 7 18 19 8 20 21 9 22 23 10 24 25 11 26 27 12 28 29 14 15 30 13 31 32 16 33 34 35 36 37 38 39 40 17 41 42 7 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 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 2 4.5981 2.866 3.732 10.6603 9.7942 11.5263 8.9282 12.3923 8.0622 13.2583 7.1962 6.3301 14.1244 13.2583 5.4641 4.5981 11.0588 10.2617 9.3957 10.1928 11.1278 11.9248 9.3267 8.5297 12.7908 11.9938 7.6636 8.4607 13.7953 7.5947 6.7976 5.9316 6.7287 14.4344 14.6613 13.8144 12.6383 13.2583 13.8783 5.8626 5.0656 3.732 0.44 -1.06 -0.06 0.44 0.44 -0.06 -0.06 0.44 0.44 -0.06 -0.06 0.44 -0.06 0.44 -1.06 0.44 -0.06 0.9149 0.9149 -0.5349 -0.5349 -0.5349 -0.5349 0.9149 0.9149 0.9149 0.9149 -0.5349 -0.5349 -0.37 0.9149 0.9149 -0.5349 -0.5349 -0.0969 0.75 0.9769 -1.06 -1.68 -1.06 0.9149 0.9149 1.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 175 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723020000000000000000000000000000000000000000000000000000000000000001E00140000000D008180000200005000000800011010000000000000002000010000000000120080000000000010000000011888C08C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-N-oxido-dodecanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-N-oxidododecanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-<I>N</I>-oxidododecanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-N-oxidododecanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-N-oxidanidyl-dodecanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;11-methyl-N-oxido-lauramide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H26NO2.Na/c1-12(2)10-8-6-4-3-5-7-9-11-13(15)14-16;/h12H,3-11H2,1-2H3,(H-,14,15,16);/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WLFHZOBCUFSUBU-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.18612335 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H26NNaO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)CCCCCCCCCC(=O)N[O-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)CCCCCCCCCC(=O)N[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.18612335 17 0 0 0 0 0 0 0 2 3