tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane

C215H267N11O17 — CID 161027223

IUPACtert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCC(C)(C)CC(=O)C(C)(C)C.CCC(C)(C)CC(C)(C)C.CCC(C)(C)CCOCCCC(=O)OC(C)(C)C.CCC(C)(C)COC(C)(C)C.CCC(C)(C)Cc1ccc(CNC(=O)COC(C)(C)C)cc1.CNC(C)(C)CCOCCNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)c1ccc(CC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(COC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C75H4.C19H31NO2.C17H28N2O2.C17H28N2O.C16H26N2O2.C15H30O3.C14H30N2O3.C11H24N2O2.C11H22O.C10H22O.C10H22/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-19(5,6)12-15-8-10-16(11-9-15)13-20-17(21)14-22-18(2,3)4;1-16(2,3)21-11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-16(2,3)11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-15(2,3)20-13-9-7-12(8-10-13)14(19)18-11-16(4,5)17-6;1-7-15(5,6)10-12-17-11-8-9-13(16)18-14(2,3)4;1-13(2,3)19-11-12(17)16-8-10-18-9-7-14(4,5)15-6;1-10(2,3)15-7-9(14)13-8-11(4,5)12-6;1-7-11(5,6)8-9(12)10(2,3)4;1-7-10(5,6)8-11-9(2,3)4;1-7-10(5,6)8-9(2,3)4/h1H,2H3;8-11H,7,12-14H2,1-6H3,(H,20,21);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,17H,11H2,1-6H3,(H,18,19);7-12H2,1-6H3;15H,7-11H2,1-6H3,(H,16,17);12H,7-8H2,1-6H3,(H,13,14);7-8H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyTZDLAIDIESZZFW-UHFFFAOYSA-N
MW3277.56 g/mol
LogP29.90
Rot. Bonds53

About tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane

tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane (PubChem CID 161027223) has the molecular formula C215H267N11O17 and a molecular weight of 3277.56 g/mol. Its IUPAC name is tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane.

Molecular Properties

Compound Nametert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane
PubChem CID161027223
Molecular FormulaC215H267N11O17
Molecular Weight3277.56 g/mol
Exact Mass3275.04
IUPAC Nametert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCC(C)(C)CC(=O)C(C)(C)C.CCC(C)(C)CC(C)(C)C.CCC(C)(C)CCOCCCC(=O)OC(C)(C)C.CCC(C)(C)COC(C)(C)C.CCC(C)(C)Cc1ccc(CNC(=O)COC(C)(C)C)cc1.CNC(C)(C)CCOCCNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)c1ccc(CC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(COC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C75H4.C19H31NO2.C17H28N2O2.C17H28N2O.C16H26N2O2.C15H30O3.C14H30N2O3.C11H24N2O2.C11H22O.C10H22O.C10H22/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-19(5,6)12-15-8-10-16(11-9-15)13-20-17(21)14-22-18(2,3)4;1-16(2,3)21-11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-16(2,3)11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-15(2,3)20-13-9-7-12(8-10-13)14(19)18-11-16(4,5)17-6;1-7-15(5,6)10-12-17-11-8-9-13(16)18-14(2,3)4;1-13(2,3)19-11-12(17)16-8-10-18-9-7-14(4,5)15-6;1-10(2,3)15-7-9(14)13-8-11(4,5)12-6;1-7-11(5,6)8-9(12)10(2,3)4;1-7-10(5,6)8-11-9(2,3)4;1-7-10(5,6)8-9(2,3)4/h1H,2H3;8-11H,7,12-14H2,1-6H3,(H,20,21);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,17H,11H2,1-6H3,(H,18,19);7-12H2,1-6H3;15H,7-11H2,1-6H3,(H,16,17);12H,7-8H2,1-6H3,(H,13,14);7-8H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyTZDLAIDIESZZFW-UHFFFAOYSA-N
XLogP29.90
TPSA351.96 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds53
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.56
LogP ≤ 529.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane?
The IUPAC name of tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane (CID 161027223) is tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane.
What is the SMILES notation for tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane?
The canonical SMILES for tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCC(C)(C)CC(=O)C(C)(C)C.CCC(C)(C)CC(C)(C)C.CCC(C)(C)CCOCCCC(=O)OC(C)(C)C.CCC(C)(C)COC(C)(C)C.CCC(C)(C)Cc1ccc(CNC(=O)COC(C)(C)C)cc1.CNC(C)(C)CCOCCNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)COC(C)(C)C.CNC(C)(C)CNC(=O)c1ccc(CC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(COC(C)(C)C)cc1.CNC(C)(C)CNC(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane?
The InChIKey is TZDLAIDIESZZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H4.C19H31NO2.C17H28N2O2.C17H28N2O.C16H26N2O2.C15H30O3.C14H30N2O3.C11H24N2O2.C11H22O.C10H22O.C10H22/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-19(5,6)12-15-8-10-16(11-9-15)13-20-17(21)14-22-18(2,3)4;1-16(2,3)21-11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-16(2,3)11-13-7-9-14(10-8-13)15(20)19-12-17(4,5)18-6;1-15(2,3)20-13-9-7-12(8-10-13)14(19)18-11-16(4,5)17-6;1-7-15(5,6)10-12-17-11-8-9-13(16)18-14(2,3)4;1-13(2,3)19-11-12(17)16-8-10-18-9-7-14(4,5)15-6;1-10(2,3)15-7-9(14)13-8-11(4,5)12-6;1-7-11(5,6)8-9(12)10(2,3)4;1-7-10(5,6)8-11-9(2,3)4;1-7-10(5,6)8-9(2,3)4/h1H,2H3;8-11H,7,12-14H2,1-6H3,(H,20,21);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,18H,11-12H2,1-6H3,(H,19,20);7-10,17H,11H2,1-6H3,(H,18,19);7-12H2,1-6H3;15H,7-11H2,1-6H3,(H,16,17);12H,7-8H2,1-6H3,(H,13,14);7-8H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3.
What are the key properties of tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane?
tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane has a molecular weight of 3277.56 g/mol, XLogP of 29.90, 53 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3-dimethylpentoxy)butanoate;N-[[4-(2,2-dimethylbutyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4-(2,2-dimethylpropyl)-N-[2-methyl-2-(methylamino)propyl]benzamide;N-[2-[3-methyl-3-(methylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxy]benzamide;N-[2-methyl-2-(methylamino)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]benzamide;pentaheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73-heptatriacontayne;2,2,5,5-tetramethylheptan-3-one;2,2,4,4-tetramethylhexane is sourced from PubChem (CID 161027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).