53315831 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 8 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 2 3 3 4 4 5 5 5 5 6 6 7 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 15 17 17 17 8 12 16 4 36 16 35 6 13 16 18 10 11 8 9 19 20 21 22 17 23 24 14 25 15 26 14 15 27 28 29 30 31 32 33 34 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 6 13 16 18 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 3.732 5.4641 5.4641 4.5981 3.732 3.732 2.866 2.866 2 4.5981 2.866 3.732 2.866 4.5981 2.866 4.5981 2 3.732 3.0781 3.4766 2.654 2.2554 1.788 1.3894 5.135 2.3291 3.176 2.3291 2.556 5.135 2.3291 1.38 2 2.62 4.0611 5.4641 -1.81 2.19 4.19 3.69 2.19 1.19 -3.31 -2.31 -3.81 0.69 0.69 -0.81 2.69 -0.31 -0.31 2.69 -4.81 2.81 -3.8926 -3.2023 -1.7274 -2.4177 -3.2274 -3.9177 1 1 3.2269 3 2.1531 -0.62 -0.62 -4.81 -5.43 -4.81 4 4.81 3 8 8 8 8 8 8 5 6 6 10 11 12 12 13 10 11 14 15 14 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 225 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0723000000000000000000000000000000000000000300000000000000000010000001E00140800000D04A198023206805004008802215210000208002020002888010608880C263284B51B823820A4D01108A80798C8D08EA0000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)propanehydroxamic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)-N-hydroxypropanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)-<I>N</I>-hydroxypropanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)-N-hydroxypropanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)-N-oxidanyl-propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butoxyphenyl)propanehydroxamic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H19NO3/c1-3-4-9-17-12-7-5-11(6-8-12)10(2)13(15)14-16/h5-8,10,16H,3-4,9H2,1-2H3,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LSBPVXOUGZCVRQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H19NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCOC1=CC=C(C=C1)C(C)C(=O)NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCOC1=CC=C(C=C1)C(C)C(=O)NO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 17 1 0 1 0 0 0 0 1 -1