dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride

C185H273BrCl3K2N17O56 — CID 158609130

IUPACdipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride
SMILESC#CCBr.C#CCOCCOCCOCC/N=C/c1ccccc1.C#CCOCCOCCOCCCC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(C)C.C#CCOCCOCCOCC[NH3+].C1CO1.CC(C)(C)OC(=O)C[C@@H]1NC(=O)OC1=O.CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)OC2=O)cc1.Cl.O=C1N[C@@H](Cc2ccccc2)C(=O)O1.OCC/N=C/c1ccccc1.[C-]1=CCCc2ccccc21.[Cl-].[Cl-].[K+].[K+].[O-]CCOCCOCC/N=C/c1ccccc1
InChIInChI=1S/C90H148N10O33.C16H21NO3.C14H17NO4.C13H18NO3.C10H9NO3.C10H9.C9H13NO5.C9H17NO3.C9H11NO.C3H3Br.C2H4O.3ClH.2K/c1-32-35-121-37-39-123-40-38-122-36-33-34-61(101)52(42-63(103)125-82(5,6)7)92-73(113)54(44-65(105)127-84(11,12)13)94-75(115)56(46-67(107)129-86(17,18)19)96-77(117)58(48-69(109)131-88(23,24)25)98-79(119)60(50-71(111)133-90(29,30)31)100-80(120)59(49-70(110)132-89(26,27)28)99-78(118)57(47-68(108)130-87(20,21)22)97-76(116)55(45-66(106)128-85(14,15)16)95-74(114)53(43-64(104)126-83(8,9)10)93-72(112)51(91)41-62(102)124-81(2,3)4;1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16;1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11;15-7-9-17-11-10-16-8-6-14-12-13-4-2-1-3-5-13;12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;1-2-6-10-8-4-3-7-9(10)5-1;1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5;1-2-4-11-6-8-13-9-7-12-5-3-10;11-7-6-10-8-9-4-2-1-3-5-9;1-2-3-4;1-2-3-1;;;;;/h1,51-60H,33-50,91H2,2-31H3,(H,92,113)(H,93,112)(H,94,115)(H,95,114)(H,96,117)(H,97,116)(H,98,119)(H,99,118)(H,100,120);1,3-7,15H,8-14H2;4-7,11H,8H2,1-3H3,(H,15,17);1-5,12H,6-11H2;1-5,8H,6H2,(H,11,13);1-3,5-6H,4,8H2;5H,4H2,1-3H3,(H,10,13);1H,3-10H2;1-5,8,11H,6-7H2;1H,3H2;1-2H2;3*1H;;/q;;;-1;;-1;;;;;;;;;2*+1/b;17-15+;;14-12+;;;;;10-8+;;;;;;;/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-;;11-;;8-;;5-;;;;;;;;;/m0.0.0.0........./s1
InChIKeyHWPMHHXMFZAWCT-DNRWJBTCSA-N
MW3895.74 g/mol
LogP-0.33
Rot. Bonds89

About dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride

dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride (PubChem CID 158609130) has the molecular formula C185H273BrCl3K2N17O56 and a molecular weight of 3895.74 g/mol. Its IUPAC name is dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride.

Molecular Properties

Compound Namedipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride
PubChem CID158609130
Molecular FormulaC185H273BrCl3K2N17O56
Molecular Weight3895.74 g/mol
Exact Mass3890.66
IUPAC Namedipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride
SMILESC#CCBr.C#CCOCCOCCOCC/N=C/c1ccccc1.C#CCOCCOCCOCCCC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(C)C.C#CCOCCOCCOCC[NH3+].C1CO1.CC(C)(C)OC(=O)C[C@@H]1NC(=O)OC1=O.CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)OC2=O)cc1.Cl.O=C1N[C@@H](Cc2ccccc2)C(=O)O1.OCC/N=C/c1ccccc1.[C-]1=CCCc2ccccc21.[Cl-].[Cl-].[K+].[K+].[O-]CCOCCOCC/N=C/c1ccccc1
InChIInChI=1S/C90H148N10O33.C16H21NO3.C14H17NO4.C13H18NO3.C10H9NO3.C10H9.C9H13NO5.C9H17NO3.C9H11NO.C3H3Br.C2H4O.3ClH.2K/c1-32-35-121-37-39-123-40-38-122-36-33-34-61(101)52(42-63(103)125-82(5,6)7)92-73(113)54(44-65(105)127-84(11,12)13)94-75(115)56(46-67(107)129-86(17,18)19)96-77(117)58(48-69(109)131-88(23,24)25)98-79(119)60(50-71(111)133-90(29,30)31)100-80(120)59(49-70(110)132-89(26,27)28)99-78(118)57(47-68(108)130-87(20,21)22)97-76(116)55(45-66(106)128-85(14,15)16)95-74(114)53(43-64(104)126-83(8,9)10)93-72(112)51(91)41-62(102)124-81(2,3)4;1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16;1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11;15-7-9-17-11-10-16-8-6-14-12-13-4-2-1-3-5-13;12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;1-2-6-10-8-4-3-7-9(10)5-1;1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5;1-2-4-11-6-8-13-9-7-12-5-3-10;11-7-6-10-8-9-4-2-1-3-5-9;1-2-3-4;1-2-3-1;;;;;/h1,51-60H,33-50,91H2,2-31H3,(H,92,113)(H,93,112)(H,94,115)(H,95,114)(H,96,117)(H,97,116)(H,98,119)(H,99,118)(H,100,120);1,3-7,15H,8-14H2;4-7,11H,8H2,1-3H3,(H,15,17);1-5,12H,6-11H2;1-5,8H,6H2,(H,11,13);1-3,5-6H,4,8H2;5H,4H2,1-3H3,(H,10,13);1H,3-10H2;1-5,8,11H,6-7H2;1H,3H2;1-2H2;3*1H;;/q;;;-1;;-1;;;;;;;;;2*+1/b;17-15+;;14-12+;;;;;10-8+;;;;;;;/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-;;11-;;8-;;5-;;;;;;;;;/m0.0.0.0........./s1
InChIKeyHWPMHHXMFZAWCT-DNRWJBTCSA-N
XLogP-0.33
TPSA993.41 Ų
H-Bond Donors15
H-Bond Acceptors59
Rotatable Bonds89
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003895.74
LogP ≤ 5-0.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1059

Analyze dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride with MolForge

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What is the IUPAC name of dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride?
The IUPAC name of dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride (CID 158609130) is dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride.
What is the SMILES notation for dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride?
The canonical SMILES for dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride is C#CCBr.C#CCOCCOCCOCC/N=C/c1ccccc1.C#CCOCCOCCOCCCC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(C)C.C#CCOCCOCCOCC[NH3+].C1CO1.CC(C)(C)OC(=O)C[C@@H]1NC(=O)OC1=O.CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)OC2=O)cc1.Cl.O=C1N[C@@H](Cc2ccccc2)C(=O)O1.OCC/N=C/c1ccccc1.[C-]1=CCCc2ccccc21.[Cl-].[Cl-].[K+].[K+].[O-]CCOCCOCC/N=C/c1ccccc1.
What is the InChIKey of dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride?
The InChIKey is HWPMHHXMFZAWCT-DNRWJBTCSA-N. The full InChI is InChI=1S/C90H148N10O33.C16H21NO3.C14H17NO4.C13H18NO3.C10H9NO3.C10H9.C9H13NO5.C9H17NO3.C9H11NO.C3H3Br.C2H4O.3ClH.2K/c1-32-35-121-37-39-123-40-38-122-36-33-34-61(101)52(42-63(103)125-82(5,6)7)92-73(113)54(44-65(105)127-84(11,12)13)94-75(115)56(46-67(107)129-86(17,18)19)96-77(117)58(48-69(109)131-88(23,24)25)98-79(119)60(50-71(111)133-90(29,30)31)100-80(120)59(49-70(110)132-89(26,27)28)99-78(118)57(47-68(108)130-87(20,21)22)97-76(116)55(45-66(106)128-85(14,15)16)95-74(114)53(43-64(104)126-83(8,9)10)93-72(112)51(91)41-62(102)124-81(2,3)4;1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16;1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11;15-7-9-17-11-10-16-8-6-14-12-13-4-2-1-3-5-13;12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;1-2-6-10-8-4-3-7-9(10)5-1;1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5;1-2-4-11-6-8-13-9-7-12-5-3-10;11-7-6-10-8-9-4-2-1-3-5-9;1-2-3-4;1-2-3-1;;;;;/h1,51-60H,33-50,91H2,2-31H3,(H,92,113)(H,93,112)(H,94,115)(H,95,114)(H,96,117)(H,97,116)(H,98,119)(H,99,118)(H,100,120);1,3-7,15H,8-14H2;4-7,11H,8H2,1-3H3,(H,15,17);1-5,12H,6-11H2;1-5,8H,6H2,(H,11,13);1-3,5-6H,4,8H2;5H,4H2,1-3H3,(H,10,13);1H,3-10H2;1-5,8,11H,6-7H2;1H,3H2;1-2H2;3*1H;;/q;;;-1;;-1;;;;;;;;;2*+1/b;17-15+;;14-12+;;;;;10-8+;;;;;;;/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-;;11-;;8-;;5-;;;;;;;;;/m0.0.0.0........./s1.
What are the key properties of dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride?
dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride has a molecular weight of 3895.74 g/mol, XLogP of -0.33, 89 rotatable bonds, 15 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(benzylideneamino)ethanol;2-[2-[2-(benzylideneamino)ethoxy]ethoxy]ethanolate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;3-bromoprop-1-yne;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,4-dihydro-1H-naphthalen-4-ide;[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1-[[(3S)-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-7-[2-(2-prop-2-ynoxyethoxy)ethoxy]heptan-3-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]azanium;(4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;oxirane;1-phenyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]methanimine;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylazanium;dichloride;hydrochloride is sourced from PubChem (CID 158609130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).