[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate

C200H300N10O40 — CID 162058192

IUPAC[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate
SMILESC=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCCCCCNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6CC(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=CC(=O)OC12CC3(C)CC(C)(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5(C)CC(C)(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2.C=CC(=O)OC12CC3CC(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5CC(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2
InChIInChI=1S/C43H66N2O8.C41H62N2O8.C40H60N2O8.C39H58N2O8.C37H54N2O8/c1-28(2)31(46)50-40-17-36(8)15-37(9,18-40)22-42(21-36,25-40)52-33(48)44-13-12-30(5)14-35(6,7)27-45-34(49)53-43-23-38(10)16-39(11,24-43)20-41(19-38,26-43)51-32(47)29(3)4;1-10-29(44)48-38-17-34(6)15-35(7,18-38)22-40(21-34,25-38)50-31(46)42-13-12-28(3)14-33(4,5)27-43-32(47)51-41-23-36(8)16-37(9,24-41)20-39(19-36,26-41)49-30(45)11-2;1-27(2)29(43)47-37-17-33(5)15-34(6,18-37)22-39(21-33,25-37)49-31(45)41-13-11-9-10-12-14-42-32(46)50-40-23-35(7)16-36(8,24-40)20-38(19-35,26-40)48-30(44)28(3)4;1-24(2)31(42)46-36-13-27-10-28(14-36)18-38(17-27,21-36)48-33(44)40-9-8-26(5)12-35(6,7)23-41-34(45)49-39-19-29-11-30(20-39)16-37(15-29,22-39)47-32(43)25(3)4;1-6-29(40)44-34-13-25-10-26(14-34)18-36(17-25,21-34)46-31(42)38-9-8-24(3)12-33(4,5)23-39-32(43)47-37-19-27-11-28(20-37)16-35(15-27,22-37)45-30(41)7-2/h30H,1,3,12-27H2,2,4-11H3,(H,44,48)(H,45,49);10-11,28H,1-2,12-27H2,3-9H3,(H,42,46)(H,43,47);1,3,9-26H2,2,4-8H3,(H,41,45)(H,42,46);26-30H,1,3,8-23H2,2,4-7H3,(H,40,44)(H,41,45);6-7,24-28H,1-2,8-23H2,3-5H3,(H,38,42)(H,39,43)
InChIKeyYZLRVKXPWQWNOC-UHFFFAOYSA-N
MW3484.63 g/mol
LogP38.75
Rot. Bonds65

About [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate

[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate (PubChem CID 162058192) has the molecular formula C200H300N10O40 and a molecular weight of 3484.63 g/mol. Its IUPAC name is [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate
PubChem CID162058192
Molecular FormulaC200H300N10O40
Molecular Weight3484.63 g/mol
Exact Mass3482.17
IUPAC Name[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate
SMILESC=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCCCCCNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6CC(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=CC(=O)OC12CC3(C)CC(C)(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5(C)CC(C)(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2.C=CC(=O)OC12CC3CC(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5CC(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2
InChIInChI=1S/C43H66N2O8.C41H62N2O8.C40H60N2O8.C39H58N2O8.C37H54N2O8/c1-28(2)31(46)50-40-17-36(8)15-37(9,18-40)22-42(21-36,25-40)52-33(48)44-13-12-30(5)14-35(6,7)27-45-34(49)53-43-23-38(10)16-39(11,24-43)20-41(19-38,26-43)51-32(47)29(3)4;1-10-29(44)48-38-17-34(6)15-35(7,18-38)22-40(21-34,25-38)50-31(46)42-13-12-28(3)14-33(4,5)27-43-32(47)51-41-23-36(8)16-37(9,24-41)20-39(19-36,26-41)49-30(45)11-2;1-27(2)29(43)47-37-17-33(5)15-34(6,18-37)22-39(21-33,25-37)49-31(45)41-13-11-9-10-12-14-42-32(46)50-40-23-35(7)16-36(8,24-40)20-38(19-35,26-40)48-30(44)28(3)4;1-24(2)31(42)46-36-13-27-10-28(14-36)18-38(17-27,21-36)48-33(44)40-9-8-26(5)12-35(6,7)23-41-34(45)49-39-19-29-11-30(20-39)16-37(15-29,22-39)47-32(43)25(3)4;1-6-29(40)44-34-13-25-10-26(14-34)18-36(17-25,21-34)46-31(42)38-9-8-24(3)12-33(4,5)23-39-32(43)47-37-19-27-11-28(20-37)16-35(15-27,22-37)45-30(41)7-2/h30H,1,3,12-27H2,2,4-11H3,(H,44,48)(H,45,49);10-11,28H,1-2,12-27H2,3-9H3,(H,42,46)(H,43,47);1,3,9-26H2,2,4-8H3,(H,41,45)(H,42,46);26-30H,1,3,8-23H2,2,4-7H3,(H,40,44)(H,41,45);6-7,24-28H,1-2,8-23H2,3-5H3,(H,38,42)(H,39,43)
InChIKeyYZLRVKXPWQWNOC-UHFFFAOYSA-N
XLogP38.75
TPSA646.30 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds65
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.63
LogP ≤ 538.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate?
The IUPAC name of [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate (CID 162058192) is [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate.
What is the SMILES notation for [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate?
The canonical SMILES for [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate is C=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3(C)CC(C)(CC(OC(=O)NCCCCCCNC(=O)OC45CC6(C)CC(C)(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC45CC6CC(C4)CC(OC(=O)C(=C)C)(C6)C5)(C3)C1)C2.C=CC(=O)OC12CC3(C)CC(C)(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5(C)CC(C)(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2.C=CC(=O)OC12CC3CC(C1)CC(OC(=O)NCCC(C)CC(C)(C)CNC(=O)OC14CC5CC(CC(OC(=O)C=C)(C5)C1)C4)(C3)C2.
What is the InChIKey of [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate?
The InChIKey is YZLRVKXPWQWNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66N2O8.C41H62N2O8.C40H60N2O8.C39H58N2O8.C37H54N2O8/c1-28(2)31(46)50-40-17-36(8)15-37(9,18-40)22-42(21-36,25-40)52-33(48)44-13-12-30(5)14-35(6,7)27-45-34(49)53-43-23-38(10)16-39(11,24-43)20-41(19-38,26-43)51-32(47)29(3)4;1-10-29(44)48-38-17-34(6)15-35(7,18-38)22-40(21-34,25-38)50-31(46)42-13-12-28(3)14-33(4,5)27-43-32(47)51-41-23-36(8)16-37(9,24-41)20-39(19-36,26-41)49-30(45)11-2;1-27(2)29(43)47-37-17-33(5)15-34(6,18-37)22-39(21-33,25-37)49-31(45)41-13-11-9-10-12-14-42-32(46)50-40-23-35(7)16-36(8,24-40)20-38(19-35,26-40)48-30(44)28(3)4;1-24(2)31(42)46-36-13-27-10-28(14-36)18-38(17-27,21-36)48-33(44)40-9-8-26(5)12-35(6,7)23-41-34(45)49-39-19-29-11-30(20-39)16-37(15-29,22-39)47-32(43)25(3)4;1-6-29(40)44-34-13-25-10-26(14-34)18-36(17-25,21-34)46-31(42)38-9-8-24(3)12-33(4,5)23-39-32(43)47-37-19-27-11-28(20-37)16-35(15-27,22-37)45-30(41)7-2/h30H,1,3,12-27H2,2,4-11H3,(H,44,48)(H,45,49);10-11,28H,1-2,12-27H2,3-9H3,(H,42,46)(H,43,47);1,3,9-26H2,2,4-8H3,(H,41,45)(H,42,46);26-30H,1,3,8-23H2,2,4-7H3,(H,40,44)(H,41,45);6-7,24-28H,1-2,8-23H2,3-5H3,(H,38,42)(H,39,43).
What are the key properties of [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate?
[3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate has a molecular weight of 3484.63 g/mol, XLogP of 38.75, 65 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexylcarbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[[3,5-dimethyl-7-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] 2-methylprop-2-enoate;[3-[[6-[(3,5-dimethyl-7-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]-3,5,5-trimethylhexyl]carbamoyloxy]-5,7-dimethyl-1-adamantyl] prop-2-enoate;[3-[[3,5,5-trimethyl-6-[[3-(2-methylprop-2-enoyloxy)-1-adamantyl]oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] 2-methylprop-2-enoate;[3-[[3,5,5-trimethyl-6-[(3-prop-2-enoyloxy-1-adamantyl)oxycarbonylamino]hexyl]carbamoyloxy]-1-adamantyl] prop-2-enoate is sourced from PubChem (CID 162058192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).