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

C117H262N12O43S4Si6 — CID 161291432

IUPACN-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
SMILESCCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)NC(C)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C17H36N2O6Si.C14H30N2O6Si.3C13H31NO5SSi.C10H25NO5SSi.2C7H14O3.C6H13NO2.2C6H13NO.C5H11NO/c1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;3*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;2*1-3-6(2)7(9)10-5-4-8;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/h15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);3*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;2*6,8H,3-5H2,1-2H3;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)
InChIKeyVGJYTDKKDKIPHB-UHFFFAOYSA-N
MW2822.21 g/mol
LogP14.22
Rot. Bonds93

About 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

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 (PubChem CID 161291432) has the molecular formula C117H262N12O43S4Si6 and a molecular weight of 2822.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID161291432
Molecular FormulaC117H262N12O43S4Si6
Molecular Weight2822.21 g/mol
Exact Mass2819.62
IUPAC NameN-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
SMILESCCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)NC(C)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C17H36N2O6Si.C14H30N2O6Si.3C13H31NO5SSi.C10H25NO5SSi.2C7H14O3.C6H13NO2.2C6H13NO.C5H11NO/c1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;3*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;2*1-3-6(2)7(9)10-5-4-8;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/h15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);3*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;2*6,8H,3-5H2,1-2H3;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)
InChIKeyVGJYTDKKDKIPHB-UHFFFAOYSA-N
XLogP14.22
TPSA757.34 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds93
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002822.21
LogP ≤ 514.22
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-hydroxyethyl 2-methylbutanoate;2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);bis(2-(2-methylsulfanylethylcarbamoylamino)ethyl 2-methylbutanoate);N-(3-triethoxysilylpropyl)butane-2-sulfonamide
CID 157136435
2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide
CID 158669984
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;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
N-(2-amino-2-oxoethyl)-2-methylbutanamide;bis(butan-2-yl-dimethoxy-methylsilane);tris(N-[3-[diethoxy(methyl)silyl]propyl]-2-methylbutanamide);N-[3-[dimethoxy(methyl)silyl]propyl]-2-methylbutanamide;bis(2,2-dimethylbutanamide);2-(2,2-dimethylbutanoylamino)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate;N-(2-hydroxyethyl)-2-methylbutanamide;tris(2-methylbutanamide);N-(2-methylbutan-2-yl)acetamide;2-methyl-N-[3-[methyl-di(propan-2-yloxy)silyl]propyl]butanamide
CID 158751440
2-hydroxyethyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-triethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 91077038
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
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
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
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)NC(C)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.
What is the InChIKey of 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?
The InChIKey is VGJYTDKKDKIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O6Si.C14H30N2O6Si.3C13H31NO5SSi.C10H25NO5SSi.2C7H14O3.C6H13NO2.2C6H13NO.C5H11NO/c1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;3*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;2*1-3-6(2)7(9)10-5-4-8;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/h15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);3*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;2*6,8H,3-5H2,1-2H3;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).
What are the key properties of 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?
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 has a molecular weight of 2822.21 g/mol, XLogP of 14.22, 93 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161291432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).