cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

C199H199F11N20O44S2 — CID 158233901

IUPACcis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC#CCOc1ccc(C[C@]2(C(N)=O)C[C@@H]2C(=O)NO)cc1.CCOC(=O)[C@@]1(Cc2ccc(COc3cc(C(F)(F)F)nc4ccc(OC(F)(F)F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)OC.CN(C)c1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.COC(=O)[C@@]1(Cc2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.COC(=O)[C@@]1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@H]1C[C@]1(Cc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C28H25N3O4.C26H22F6N2O6.C26H23F4NO5.C24H25FN4O4.C21H24N2O7S.C20H22N2O7S.C19H20N2O4.C19H20N2O3.C16H18N2O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24;1-2-38-23(36)24(12-18(24)22(35)34-37)11-14-3-5-15(6-4-14)13-39-20-10-21(25(27,28)29)33-19-8-7-16(9-17(19)20)40-26(30,31)32;1-3-35-24(33)25(13-20(25)23(32)34-2)12-15-4-7-18(8-5-15)36-14-16-10-22(26(28,29)30)31-21-9-6-17(27)11-19(16)21;1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32;1-23(31(27,28)17-9-7-16(29-2)8-10-17)15-6-4-5-14(11-15)12-21(20(25)30-3)13-18(21)19(24)22-26;1-28-15-6-8-16(9-7-15)30(26,27)22-14-5-3-4-13(10-14)11-20(19(24)29-2)12-17(20)18(23)21-25;20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14;20-17(22)16-11-19(16,18(21)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13;1-2-3-8-22-12-6-4-11(5-7-12)9-16(15(17)20)10-13(16)14(19)18-21/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32);3-10,18,37H,2,11-13H2,1H3,(H,34,35);4-11,20H,3,12-14H2,1-2H3;3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30);4-11,18,26H,12-13H2,1-3H3,(H,22,24);3-10,17,22,25H,11-12H2,1-2H3,(H,21,23);1-9,16,24H,10-12H2,(H2,20,23)(H,21,22);1-9,16H,10-12H2,(H2,20,22)(H2,21,23);4-7,13,21H,8-10H2,1H3,(H2,17,20)(H,18,19)/t23-,28+;18-,24+;20-,25+;17-,24+;18-,21+;17-,20+;2*16-,19+;13-,16+/m111111111/s1
InChIKeyGESKHCJAZPMDMK-MSBSGAIDSA-N
MW3847.99 g/mol
LogP24.87
Rot. Bonds69

About cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 158233901) has the molecular formula C199H199F11N20O44S2 and a molecular weight of 3847.99 g/mol. Its IUPAC name is cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID158233901
Molecular FormulaC199H199F11N20O44S2
Molecular Weight3847.99 g/mol
Exact Mass3845.32
IUPAC Namecis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC#CCOc1ccc(C[C@]2(C(N)=O)C[C@@H]2C(=O)NO)cc1.CCOC(=O)[C@@]1(Cc2ccc(COc3cc(C(F)(F)F)nc4ccc(OC(F)(F)F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)OC.CN(C)c1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.COC(=O)[C@@]1(Cc2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.COC(=O)[C@@]1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@H]1C[C@]1(Cc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C28H25N3O4.C26H22F6N2O6.C26H23F4NO5.C24H25FN4O4.C21H24N2O7S.C20H22N2O7S.C19H20N2O4.C19H20N2O3.C16H18N2O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24;1-2-38-23(36)24(12-18(24)22(35)34-37)11-14-3-5-15(6-4-14)13-39-20-10-21(25(27,28)29)33-19-8-7-16(9-17(19)20)40-26(30,31)32;1-3-35-24(33)25(13-20(25)23(32)34-2)12-15-4-7-18(8-5-15)36-14-16-10-22(26(28,29)30)31-21-9-6-17(27)11-19(16)21;1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32;1-23(31(27,28)17-9-7-16(29-2)8-10-17)15-6-4-5-14(11-15)12-21(20(25)30-3)13-18(21)19(24)22-26;1-28-15-6-8-16(9-7-15)30(26,27)22-14-5-3-4-13(10-14)11-20(19(24)29-2)12-17(20)18(23)21-25;20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14;20-17(22)16-11-19(16,18(21)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13;1-2-3-8-22-12-6-4-11(5-7-12)9-16(15(17)20)10-13(16)14(19)18-21/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32);3-10,18,37H,2,11-13H2,1H3,(H,34,35);4-11,20H,3,12-14H2,1-2H3;3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30);4-11,18,26H,12-13H2,1-3H3,(H,22,24);3-10,17,22,25H,11-12H2,1-2H3,(H,21,23);1-9,16,24H,10-12H2,(H2,20,23)(H,21,22);1-9,16H,10-12H2,(H2,20,22)(H2,21,23);4-7,13,21H,8-10H2,1H3,(H2,17,20)(H,18,19)/t23-,28+;18-,24+;20-,25+;17-,24+;18-,21+;17-,20+;2*16-,19+;13-,16+/m111111111/s1
InChIKeyGESKHCJAZPMDMK-MSBSGAIDSA-N
XLogP24.87
TPSA966.00 Ų
H-Bond Donors21
H-Bond Acceptors49
Rotatable Bonds69
Heavy Atoms276
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003847.99
LogP ≤ 524.87
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1049

Analyze cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 158233901) is cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is CC#CCOc1ccc(C[C@]2(C(N)=O)C[C@@H]2C(=O)NO)cc1.CCOC(=O)[C@@]1(Cc2ccc(COc3cc(C(F)(F)F)nc4ccc(OC(F)(F)F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)OC.CN(C)c1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.COC(=O)[C@@]1(Cc2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.COC(=O)[C@@]1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@H]1C[C@]1(Cc1cccc(OCc2ccccc2)c1)C(N)=O.
What is the InChIKey of cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is GESKHCJAZPMDMK-MSBSGAIDSA-N. The full InChI is InChI=1S/C28H25N3O4.C26H22F6N2O6.C26H23F4NO5.C24H25FN4O4.C21H24N2O7S.C20H22N2O7S.C19H20N2O4.C19H20N2O3.C16H18N2O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24;1-2-38-23(36)24(12-18(24)22(35)34-37)11-14-3-5-15(6-4-14)13-39-20-10-21(25(27,28)29)33-19-8-7-16(9-17(19)20)40-26(30,31)32;1-3-35-24(33)25(13-20(25)23(32)34-2)12-15-4-7-18(8-5-15)36-14-16-10-22(26(28,29)30)31-21-9-6-17(27)11-19(16)21;1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32;1-23(31(27,28)17-9-7-16(29-2)8-10-17)15-6-4-5-14(11-15)12-21(20(25)30-3)13-18(21)19(24)22-26;1-28-15-6-8-16(9-7-15)30(26,27)22-14-5-3-4-13(10-14)11-20(19(24)29-2)12-17(20)18(23)21-25;20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14;20-17(22)16-11-19(16,18(21)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13;1-2-3-8-22-12-6-4-11(5-7-12)9-16(15(17)20)10-13(16)14(19)18-21/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32);3-10,18,37H,2,11-13H2,1H3,(H,34,35);4-11,20H,3,12-14H2,1-2H3;3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30);4-11,18,26H,12-13H2,1-3H3,(H,22,24);3-10,17,22,25H,11-12H2,1-2H3,(H,21,23);1-9,16,24H,10-12H2,(H2,20,23)(H,21,22);1-9,16H,10-12H2,(H2,20,22)(H2,21,23);4-7,13,21H,8-10H2,1H3,(H2,17,20)(H,18,19)/t23-,28+;18-,24+;20-,25+;17-,24+;18-,21+;17-,20+;2*16-,19+;13-,16+/m111111111/s1.
What are the key properties of cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 3847.99 g/mol, XLogP of 24.87, 69 rotatable bonds, 21 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxylate;cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[3-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1R,2S)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 158233901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).