5311 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 8 8 8 7 7 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 2 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 14 14 15 15 16 16 17 17 18 18 19 12 13 5 39 12 14 32 13 33 7 8 20 21 9 22 23 10 24 25 11 26 27 12 28 29 13 30 31 15 16 17 34 18 35 19 36 19 37 38 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 2 1 1 1 2 1 2 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 4.5981 5.4641 7.1962 2.866 7.1962 4.5981 5.4641 4.5981 5.4641 3.732 6.3301 3.732 6.3301 2.866 2 3.732 2 3.732 2.866 4.386 3.9875 5.6762 6.0747 4.8101 5.2087 5.252 4.8535 3.52 3.1215 6.5422 6.9407 2.3291 7.7331 1.4631 4.269 1.4631 4.269 2.866 7.7331 -2.405 4.095 5.095 -2.405 4.095 0.595 1.095 -0.405 2.095 -0.905 2.595 -1.905 3.595 -3.405 -3.905 -3.905 -4.905 -4.905 -5.405 1.1776 0.4873 0.5124 1.2027 -0.9876 -0.2973 2.6776 1.9873 -0.3224 -1.0127 2.0124 2.7027 -2.095 3.785 -3.595 -3.595 -5.215 -5.215 -6.025 5.405 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 276 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371E0733000000000000000000000000000000000000000300000000000000000010000001E0014080000080881900030C082D00000880025525000820000210200288801006488082032C09191842008609400C8C8071888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-(hydroxyamino)-8-oxo-N-phenyl-octanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-hydroxy-N-phenyloctanediamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-hydroxy-<I>N</I>-phenyloctanediamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-hydroxy-N-phenyloctanediamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-oxidanyl-N-phenyl-octanediamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-(hydroxyamino)-8-keto-N-phenyl-caprylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WAEXFXRVDQXREF-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 2021.10.14 264.14739250 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H20N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 78.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.14739250 19 0 0 0 0 0 0 0 1 12