methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate

C142H268N18O28 — CID 158036203

IUPACmethane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate
SMILESC.C.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(C)C2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.O.O
InChIInChI=1S/C48H88N6O8.C46H84N6O10.C46H84N6O8.2CH4.2H2O/c1-41(2)21-33(45(9,10)49-41)29-59-37(55)25-53(27-39(57)61-31-35-23-43(5,6)51(17)47(35,13)14)19-20-54(26-38(56)60-30-34-22-42(3,4)50-46(34,11)12)28-40(58)62-32-36-24-44(7,8)52(18)48(36,15)16;1-39(2)19-31(43(9,10)47-39)27-59-35(53)23-49(25-37(55)61-29-33-21-41(5,6)51(57)45(33,13)14)17-18-50(24-36(54)60-28-32-20-40(3,4)48-44(32,11)12)26-38(56)62-30-34-22-42(7,8)52(58)46(34,15)16;1-39(2)19-31(43(9,10)47-39)27-57-35(53)23-51(24-36(54)58-28-32-20-40(3,4)48-44(32,11)12)17-18-52(25-37(55)59-29-33-21-41(5,6)49-45(33,13)14)26-38(56)60-30-34-22-42(7,8)50-46(34,15)16;;;;/h33-36,49-50H,19-32H2,1-18H3;31-34,47-48,57-58H,17-30H2,1-16H3;31-34,47-50H,17-30H2,1-16H3;2*1H4;2*1H2
InChIKeyYFFVXTJDVMRRRH-UHFFFAOYSA-N
MW2675.80 g/mol
LogP13.80
Rot. Bonds57

About methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate

methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate (PubChem CID 158036203) has the molecular formula C142H268N18O28 and a molecular weight of 2675.80 g/mol. Its IUPAC name is methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate.

Molecular Properties

Compound Namemethane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate
PubChem CID158036203
Molecular FormulaC142H268N18O28
Molecular Weight2675.80 g/mol
Exact Mass2674.01
IUPAC Namemethane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate
SMILESC.C.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(C)C2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.O.O
InChIInChI=1S/C48H88N6O8.C46H84N6O10.C46H84N6O8.2CH4.2H2O/c1-41(2)21-33(45(9,10)49-41)29-59-37(55)25-53(27-39(57)61-31-35-23-43(5,6)51(17)47(35,13)14)19-20-54(26-38(56)60-30-34-22-42(3,4)50-46(34,11)12)28-40(58)62-32-36-24-44(7,8)52(18)48(36,15)16;1-39(2)19-31(43(9,10)47-39)27-59-35(53)23-49(25-37(55)61-29-33-21-41(5,6)51(57)45(33,13)14)17-18-50(24-36(54)60-28-32-20-40(3,4)48-44(32,11)12)26-38(56)62-30-34-22-42(7,8)52(58)46(34,15)16;1-39(2)19-31(43(9,10)47-39)27-57-35(53)23-51(24-36(54)58-28-32-20-40(3,4)48-44(32,11)12)17-18-52(25-37(55)59-29-33-21-41(5,6)49-45(33,13)14)26-38(56)60-30-34-22-42(7,8)50-46(34,15)16;;;;/h33-36,49-50H,19-32H2,1-18H3;31-34,47-48,57-58H,17-30H2,1-16H3;31-34,47-50H,17-30H2,1-16H3;2*1H4;2*1H2
InChIKeyYFFVXTJDVMRRRH-UHFFFAOYSA-N
XLogP13.80
TPSA547.70 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds57
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002675.80
LogP ≤ 513.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate?
The IUPAC name of methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate (CID 158036203) is methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate.
What is the SMILES notation for methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate?
The canonical SMILES for methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate is C.C.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)CN(CCN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(C)C2(C)C)CC(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.O.O.
What is the InChIKey of methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate?
The InChIKey is YFFVXTJDVMRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88N6O8.C46H84N6O10.C46H84N6O8.2CH4.2H2O/c1-41(2)21-33(45(9,10)49-41)29-59-37(55)25-53(27-39(57)61-31-35-23-43(5,6)51(17)47(35,13)14)19-20-54(26-38(56)60-30-34-22-42(3,4)50-46(34,11)12)28-40(58)62-32-36-24-44(7,8)52(18)48(36,15)16;1-39(2)19-31(43(9,10)47-39)27-59-35(53)23-49(25-37(55)61-29-33-21-41(5,6)51(57)45(33,13)14)17-18-50(24-36(54)60-28-32-20-40(3,4)48-44(32,11)12)26-38(56)62-30-34-22-42(7,8)52(58)46(34,15)16;1-39(2)19-31(43(9,10)47-39)27-57-35(53)23-51(24-36(54)58-28-32-20-40(3,4)48-44(32,11)12)17-18-52(25-37(55)59-29-33-21-41(5,6)49-45(33,13)14)26-38(56)60-30-34-22-42(7,8)50-46(34,15)16;;;;/h33-36,49-50H,19-32H2,1-18H3;31-34,47-48,57-58H,17-30H2,1-16H3;31-34,47-50H,17-30H2,1-16H3;2*1H4;2*1H2.
What are the key properties of methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate?
methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate has a molecular weight of 2675.80 g/mol, XLogP of 13.80, 57 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate is sourced from PubChem (CID 158036203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).