potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide

C125H275KN9NaO42S2Si8 — CID 161184768

IUPACpotassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)N(C)C.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(N)=O.CCC(C)N1CCCC1=O.CCC(C)NC(C)=O.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.[K+].[Na+]
InChIInChI=1S/3C11H25NO4Si.C10H14O3S.C9H18O5S.C8H15NO.C7H15NO.5C7H18O3Si.C6H13NO2.2C6H13NO.C5H11NO.K.Na/c3*1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-3-7(2)9-6-4-5-8(9)10;1-5-6(2)7(9)8(3)4;5*1-6-7(2)11(8-3,9-4)10-5;1-3-6(2,4-8)5(7)9;1-4-6(2,3)5(7)8;1-4-5(2)7-6(3)8;1-3-4(2)5(6)7;;/h3*10H,6-9H2,1-5H3,(H,12,13);4-8H,3H2,1-2H3,(H,11,12,13);4-7H2,1-3H3,(H,11,12,13);7H,3-6H2,1-2H3;6H,5H2,1-4H3;5*7H,6H2,1-5H3;8H,3-4H2,1-2H3,(H2,7,9);4H2,1-3H3,(H2,7,8);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7);;/q;;;;;;;;;;;;;;;;2*+1/p-2
InChIKeyUSYBZWSCBRPJHS-UHFFFAOYSA-L
MW2927.51 g/mol
LogP14.34
Rot. Bonds74

About potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide

potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide (PubChem CID 161184768) has the molecular formula C125H275KN9NaO42S2Si8 and a molecular weight of 2927.51 g/mol. Its IUPAC name is potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide.

Molecular Properties

Compound Namepotassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide
PubChem CID161184768
Molecular FormulaC125H275KN9NaO42S2Si8
Molecular Weight2927.51 g/mol
Exact Mass2924.68
IUPAC Namepotassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)N(C)C.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(N)=O.CCC(C)N1CCCC1=O.CCC(C)NC(C)=O.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.[K+].[Na+]
InChIInChI=1S/3C11H25NO4Si.C10H14O3S.C9H18O5S.C8H15NO.C7H15NO.5C7H18O3Si.C6H13NO2.2C6H13NO.C5H11NO.K.Na/c3*1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-3-7(2)9-6-4-5-8(9)10;1-5-6(2)7(9)8(3)4;5*1-6-7(2)11(8-3,9-4)10-5;1-3-6(2,4-8)5(7)9;1-4-6(2,3)5(7)8;1-4-5(2)7-6(3)8;1-3-4(2)5(6)7;;/h3*10H,6-9H2,1-5H3,(H,12,13);4-8H,3H2,1-2H3,(H,11,12,13);4-7H2,1-3H3,(H,11,12,13);7H,3-6H2,1-2H3;6H,5H2,1-4H3;5*7H,6H2,1-5H3;8H,3-4H2,1-2H3,(H2,7,9);4H2,1-3H3,(H2,7,8);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7);;/q;;;;;;;;;;;;;;;;2*+1/p-2
InChIKeyUSYBZWSCBRPJHS-UHFFFAOYSA-L
XLogP14.34
TPSA668.74 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds74
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002927.51
LogP ≤ 514.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide with MolForge

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Related Compounds

potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate
CID 160565403
potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
CID 160787696
N-butan-2-ylacetamide;2,2-dimethylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
CID 161291432
potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane
CID 159989895
1-butan-2-ylpyrrolidin-2-one;bis(2,2-dimethylbutane);2-[2-[2-[2-(2,2-dimethylbutylperoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
CID 159602752
2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;1-(hydroxymethyl)-3-methyl-3-(3-trimethoxysilylpropylsulfanylmethyl)aziridin-1-ium-2-one;2-methyl-1-morpholin-4-yl-3-(3-trimethoxysilylpropylsulfanyl)propan-1-one;N-[(2-methylpropan-2-yl)oxymethyl]-1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine;3-methyl-4-(3-triethoxysilylpropylsulfanyl)butan-2-one;2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoic acid;N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;1-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]pyrrolidin-2-one;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide;N,2,2-trimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide
CID 158305517
tripotassium;disodium;4-[1-(2-amino-2-carboxyethyl)sulfanylpropan-2-yl]benzenesulfonate;3-[3-(2-aminoethylsulfanyl)-2,2-dimethylpropanoyl]oxypropane-1-sulfonate;3-(2-aminoethylsulfanyl)-2-methylpropanamide;4-[1-(1-amino-2-methylpropan-2-yl)sulfanylpropan-2-yl]benzenesulfonate;4-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]benzenesulfonate;2-[[3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoyl]amino]-2-methylpropane-1-sulfonate;2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 157487841
(4-butan-2-ylphenyl)methyl-trimethylazanium;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide
CID 123398119
butan-2-ylbenzene;butyl 2-methylbutanoate;tetrakis(2-(dimethylamino)ethyl 2-methylbutanoate);N-[3-(dimethylamino)propyl]-2-methylbutanamide;2-ethylhexyl 2-methylbutanoate;ethyl 2-methylbutanoate;hexyl 2-methylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-methylbutanamide
CID 159185914
sodium;2-(4-butan-2-ylpyridin-1-ium-1-yl)propanoate;1-butan-2-ylpyrrolidin-2-one;chloride
CID 157176252
sodium 4-[4,6-bis(butoxycarbonyl)-6-methyloctan-2-yl]benzenesulfonate
CID 58819383
potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)
CID 158743530

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide?
The IUPAC name of potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide (CID 161184768) is potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide.
What is the SMILES notation for potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide?
The canonical SMILES for potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide is CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)N(C)C.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(N)=O.CCC(C)N1CCCC1=O.CCC(C)NC(C)=O.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.[K+].[Na+].
What is the InChIKey of potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide?
The InChIKey is USYBZWSCBRPJHS-UHFFFAOYSA-L. The full InChI is InChI=1S/3C11H25NO4Si.C10H14O3S.C9H18O5S.C8H15NO.C7H15NO.5C7H18O3Si.C6H13NO2.2C6H13NO.C5H11NO.K.Na/c3*1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-3-7(2)9-6-4-5-8(9)10;1-5-6(2)7(9)8(3)4;5*1-6-7(2)11(8-3,9-4)10-5;1-3-6(2,4-8)5(7)9;1-4-6(2,3)5(7)8;1-4-5(2)7-6(3)8;1-3-4(2)5(6)7;;/h3*10H,6-9H2,1-5H3,(H,12,13);4-8H,3H2,1-2H3,(H,11,12,13);4-7H2,1-3H3,(H,11,12,13);7H,3-6H2,1-2H3;6H,5H2,1-4H3;5*7H,6H2,1-5H3;8H,3-4H2,1-2H3,(H2,7,9);4H2,1-3H3,(H2,7,8);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7);;/q;;;;;;;;;;;;;;;;2*+1/p-2.
What are the key properties of potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide?
potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide has a molecular weight of 2927.51 g/mol, XLogP of 14.34, 74 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide is sourced from PubChem (CID 161184768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).