3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate

C222H337N27O64 — CID 159889453

IUPAC3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
SMILESCC1(C)CC(CC(=O)OCCCO)CC(C)(CNC(=O)OCCCO)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCC#N)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCN2C(=O)C3CCCCC3C2=O)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)CCC2(C)CC(NC(=O)OC)CC(C)(C)C2)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)NCC2(C)CC(CC(=O)OC)CC(C)(C)C2)C1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OC)c2)c1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCCOC(=O)NCc3cccc(CNC(=O)OC)c3)c2)c1.[C-]#[N+]CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCC#N)c2)c1
InChIInChI=1S/C38H48N6O12.2C31H54N2O8.C29H34N6O8.C28H45N3O8.C25H32N4O8.C21H35N3O6.C19H35NO6/c1-51-33(45)39-21-27-8-3-10-29(18-27)23-41-35(47)53-14-6-16-55-37(49)43-25-31-12-5-13-32(20-31)26-44-38(50)56-17-7-15-54-36(48)42-24-30-11-4-9-28(19-30)22-40-34(46)52-2;1-28(2)15-22(14-25(35)38-7)16-31(6,20-28)21-32-26(36)41-13-9-12-40-24(34)10-11-30(5)18-23(33-27(37)39-8)17-29(3,4)19-30;1-28(2)14-22(12-24(34)38-7)16-30(5,18-28)20-32-26(36)40-10-9-11-41-27(37)33-21-31(6)17-23(13-25(35)39-8)15-29(3,4)19-31;1-31-11-15-43-29(39)35-21-25-9-3-8-24(17-25)20-34-28(38)42-14-5-13-41-27(37)33-19-23-7-2-6-22(16-23)18-32-26(36)40-12-4-10-30;1-18(15-38-25(35)29-5)39-22(32)12-19-13-27(2,3)16-28(4,14-19)17-30-26(36)37-11-10-31-23(33)20-8-6-7-9-21(20)24(31)34;1-34-22(30)26-14-18-6-3-8-20(12-18)16-28-24(32)36-10-5-11-37-25(33)29-17-21-9-4-7-19(13-21)15-27-23(31)35-2;1-15(12-29-18(26)23-5)30-17(25)9-16-10-20(2,3)13-21(4,11-16)14-24-19(27)28-8-6-7-22;1-18(2)11-15(10-16(23)25-8-4-6-21)12-19(3,13-18)14-20-17(24)26-9-5-7-22/h3-5,8-13,18-20H,6-7,14-17,21-26H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)(H,44,50);2*22-23H,9-21H2,1-8H3,(H,32,36)(H,33,37);2-3,6-9,16-17H,4-5,11-15,18-21H2,(H,32,36)(H,33,37)(H,34,38)(H,35,39);18-21H,6-17H2,1-5H3,(H,29,35)(H,30,36);3-4,6-9,12-13H,5,10-11,14-17H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33);15-16H,6,8-14H2,1-5H3,(H,23,26)(H,24,27);15,21-22H,4-14H2,1-3H3,(H,20,24)
InChIKeyNUODCJMHRGNZIX-UHFFFAOYSA-N
MW4408.26 g/mol
LogP31.10
Rot. Bonds101

About 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate

3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate (PubChem CID 159889453) has the molecular formula C222H337N27O64 and a molecular weight of 4408.26 g/mol. Its IUPAC name is 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate.

Molecular Properties

Compound Name3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
PubChem CID159889453
Molecular FormulaC222H337N27O64
Molecular Weight4408.26 g/mol
Exact Mass4405.39
IUPAC Name3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
SMILESCC1(C)CC(CC(=O)OCCCO)CC(C)(CNC(=O)OCCCO)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCC#N)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCN2C(=O)C3CCCCC3C2=O)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)CCC2(C)CC(NC(=O)OC)CC(C)(C)C2)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)NCC2(C)CC(CC(=O)OC)CC(C)(C)C2)C1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OC)c2)c1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCCOC(=O)NCc3cccc(CNC(=O)OC)c3)c2)c1.[C-]#[N+]CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCC#N)c2)c1
InChIInChI=1S/C38H48N6O12.2C31H54N2O8.C29H34N6O8.C28H45N3O8.C25H32N4O8.C21H35N3O6.C19H35NO6/c1-51-33(45)39-21-27-8-3-10-29(18-27)23-41-35(47)53-14-6-16-55-37(49)43-25-31-12-5-13-32(20-31)26-44-38(50)56-17-7-15-54-36(48)42-24-30-11-4-9-28(19-30)22-40-34(46)52-2;1-28(2)15-22(14-25(35)38-7)16-31(6,20-28)21-32-26(36)41-13-9-12-40-24(34)10-11-30(5)18-23(33-27(37)39-8)17-29(3,4)19-30;1-28(2)14-22(12-24(34)38-7)16-30(5,18-28)20-32-26(36)40-10-9-11-41-27(37)33-21-31(6)17-23(13-25(35)39-8)15-29(3,4)19-31;1-31-11-15-43-29(39)35-21-25-9-3-8-24(17-25)20-34-28(38)42-14-5-13-41-27(37)33-19-23-7-2-6-22(16-23)18-32-26(36)40-12-4-10-30;1-18(15-38-25(35)29-5)39-22(32)12-19-13-27(2,3)16-28(4,14-19)17-30-26(36)37-11-10-31-23(33)20-8-6-7-9-21(20)24(31)34;1-34-22(30)26-14-18-6-3-8-20(12-18)16-28-24(32)36-10-5-11-37-25(33)29-17-21-9-4-7-19(13-21)15-27-23(31)35-2;1-15(12-29-18(26)23-5)30-17(25)9-16-10-20(2,3)13-21(4,11-16)14-24-19(27)28-8-6-7-22;1-18(2)11-15(10-16(23)25-8-4-6-21)12-19(3,13-18)14-20-17(24)26-9-5-7-22/h3-5,8-13,18-20H,6-7,14-17,21-26H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)(H,44,50);2*22-23H,9-21H2,1-8H3,(H,32,36)(H,33,37);2-3,6-9,16-17H,4-5,11-15,18-21H2,(H,32,36)(H,33,37)(H,34,38)(H,35,39);18-21H,6-17H2,1-5H3,(H,29,35)(H,30,36);3-4,6-9,12-13H,5,10-11,14-17H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33);15-16H,6,8-14H2,1-5H3,(H,23,26)(H,24,27);15,21-22H,4-14H2,1-3H3,(H,20,24)
InChIKeyNUODCJMHRGNZIX-UHFFFAOYSA-N
XLogP31.10
TPSA1195.47 Ų
H-Bond Donors25
H-Bond Acceptors66
Rotatable Bonds101
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004408.26
LogP ≤ 531.10
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1066

Analyze 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate with MolForge

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Related Compounds

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethyl N-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 118911927
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethyl N-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 118911977
2-(benzylcarbamoyloxy)ethyl 2-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;2-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate
CID 158950894
2-cyanoethyl N-[[5-[3-(2-isocyanoethoxy)-2-oxopropyl]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 161068958
1-(methylcarbamoyloxy)propan-2-yl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate
CID 118911894
ethyl 2-[3-[[[5-(benzylamino)-5-oxopentoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
CID 159485794
6-O-[4-[[3,3,5-trimethyl-5-[3-oxo-3-[6,6,6-trifluoro-2-methyl-2-[[2-[3,3,5-trimethyl-5-[[[3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2-[2-[3,3,5-trimethyl-5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]acetyl]oxypropoxy]carbonylamino]methyl]cyclohexyl]acetyl]oxymethyl]hexoxy]propyl]cyclohexyl]carbamoyloxy]butyl] 1-O-[4-[3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoyloxy]butyl] hexanedioate
CID 159021652
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate
CID 159902921
2-(3,4-dihydroxyphenyl)ethyl 2-[3-[[2-(3,4-dihydroxyphenyl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
CID 149287117
2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethyl N-[[3-[[2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 121432773
2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 130346361

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate?
The IUPAC name of 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate (CID 159889453) is 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate.
What is the SMILES notation for 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate?
The canonical SMILES for 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate is CC1(C)CC(CC(=O)OCCCO)CC(C)(CNC(=O)OCCCO)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCC#N)C1.CNC(=O)OCC(C)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCN2C(=O)C3CCCCC3C2=O)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)CCC2(C)CC(NC(=O)OC)CC(C)(C)C2)C1.COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCOC(=O)NCC2(C)CC(CC(=O)OC)CC(C)(C)C2)C1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OC)c2)c1.COC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCCOC(=O)NCc3cccc(CNC(=O)OC)c3)c2)c1.[C-]#[N+]CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2cccc(CNC(=O)OCCC#N)c2)c1.
What is the InChIKey of 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate?
The InChIKey is NUODCJMHRGNZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O12.2C31H54N2O8.C29H34N6O8.C28H45N3O8.C25H32N4O8.C21H35N3O6.C19H35NO6/c1-51-33(45)39-21-27-8-3-10-29(18-27)23-41-35(47)53-14-6-16-55-37(49)43-25-31-12-5-13-32(20-31)26-44-38(50)56-17-7-15-54-36(48)42-24-30-11-4-9-28(19-30)22-40-34(46)52-2;1-28(2)15-22(14-25(35)38-7)16-31(6,20-28)21-32-26(36)41-13-9-12-40-24(34)10-11-30(5)18-23(33-27(37)39-8)17-29(3,4)19-30;1-28(2)14-22(12-24(34)38-7)16-30(5,18-28)20-32-26(36)40-10-9-11-41-27(37)33-21-31(6)17-23(13-25(35)39-8)15-29(3,4)19-31;1-31-11-15-43-29(39)35-21-25-9-3-8-24(17-25)20-34-28(38)42-14-5-13-41-27(37)33-19-23-7-2-6-22(16-23)18-32-26(36)40-12-4-10-30;1-18(15-38-25(35)29-5)39-22(32)12-19-13-27(2,3)16-28(4,14-19)17-30-26(36)37-11-10-31-23(33)20-8-6-7-9-21(20)24(31)34;1-34-22(30)26-14-18-6-3-8-20(12-18)16-28-24(32)36-10-5-11-37-25(33)29-17-21-9-4-7-19(13-21)15-27-23(31)35-2;1-15(12-29-18(26)23-5)30-17(25)9-16-10-20(2,3)13-21(4,11-16)14-24-19(27)28-8-6-7-22;1-18(2)11-15(10-16(23)25-8-4-6-21)12-19(3,13-18)14-20-17(24)26-9-5-7-22/h3-5,8-13,18-20H,6-7,14-17,21-26H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)(H,44,50);2*22-23H,9-21H2,1-8H3,(H,32,36)(H,33,37);2-3,6-9,16-17H,4-5,11-15,18-21H2,(H,32,36)(H,33,37)(H,34,38)(H,35,39);18-21H,6-17H2,1-5H3,(H,29,35)(H,30,36);3-4,6-9,12-13H,5,10-11,14-17H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33);15-16H,6,8-14H2,1-5H3,(H,23,26)(H,24,27);15,21-22H,4-14H2,1-3H3,(H,20,24).
What are the key properties of 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate?
3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate has a molecular weight of 4408.26 g/mol, XLogP of 31.10, 101 rotatable bonds, 25 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-[3-[(3-hydroxypropoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;3-[[3-[(2-isocyanoethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(2-cyanoethoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate;3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl 3-[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[(2-cyanoethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]acetate;1-(methylcarbamoyloxy)propan-2-yl 2-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate;methyl 2-[3-[[3-[[5-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate is sourced from PubChem (CID 159889453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).