[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate

C46H98N3O16SSi2- — CID 157237913

IUPAC[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate
SMILESCCC(C)C(=O)NCCC[Si](OC(C)C)(OC(C)C)OC(C)C.CCC(C)C(=O)OCCNOOS(=O)[O-].CCCOC(=O)C(C)CC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C17H37NO4Si.C14H31NO4Si.C8H16O2.C7H15NO6S/c1-9-16(8)17(19)18-11-10-12-23(20-13(2)3,21-14(4)5)22-15(6)7;1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-4-6-10-8(9)7(3)5-2;1-3-6(2)7(9)12-5-4-8-13-14-15(10)11/h13-16H,9-12H2,1-8H3,(H,18,19);13H,6-12H2,1-5H3,(H,15,16);7H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3,(H,10,11)/p-1
InChIKeyBDGYTRKQPDXFES-UHFFFAOYSA-M
MW1037.53 g/mol
LogP8.15
Rot. Bonds36

About [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate

[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate (PubChem CID 157237913) has the molecular formula C46H98N3O16SSi2- and a molecular weight of 1037.53 g/mol. Its IUPAC name is [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate.

Molecular Properties

Compound Name[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate
PubChem CID157237913
Molecular FormulaC46H98N3O16SSi2-
Molecular Weight1037.53 g/mol
Exact Mass1036.62
IUPAC Name[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate
SMILESCCC(C)C(=O)NCCC[Si](OC(C)C)(OC(C)C)OC(C)C.CCC(C)C(=O)OCCNOOS(=O)[O-].CCCOC(=O)C(C)CC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C17H37NO4Si.C14H31NO4Si.C8H16O2.C7H15NO6S/c1-9-16(8)17(19)18-11-10-12-23(20-13(2)3,21-14(4)5)22-15(6)7;1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-4-6-10-8(9)7(3)5-2;1-3-6(2)7(9)12-5-4-8-13-14-15(10)11/h13-16H,9-12H2,1-8H3,(H,18,19);13H,6-12H2,1-5H3,(H,15,16);7H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3,(H,10,11)/p-1
InChIKeyBDGYTRKQPDXFES-UHFFFAOYSA-M
XLogP8.15
TPSA236.80 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.53
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-tripropoxysilylpropyl)butanamide
CID 58520012
propyl (2R)-2-methylbutanoate
CID 86306230
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
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
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate?
The IUPAC name of [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate (CID 157237913) is [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate.
What is the SMILES notation for [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate?
The canonical SMILES for [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate is CCC(C)C(=O)NCCC[Si](OC(C)C)(OC(C)C)OC(C)C.CCC(C)C(=O)OCCNOOS(=O)[O-].CCCOC(=O)C(C)CC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.
What is the InChIKey of [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate?
The InChIKey is BDGYTRKQPDXFES-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H37NO4Si.C14H31NO4Si.C8H16O2.C7H15NO6S/c1-9-16(8)17(19)18-11-10-12-23(20-13(2)3,21-14(4)5)22-15(6)7;1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-4-6-10-8(9)7(3)5-2;1-3-6(2)7(9)12-5-4-8-13-14-15(10)11/h13-16H,9-12H2,1-8H3,(H,18,19);13H,6-12H2,1-5H3,(H,15,16);7H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3,(H,10,11)/p-1.
What are the key properties of [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate?
[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate has a molecular weight of 1037.53 g/mol, XLogP of 8.15, 36 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate is sourced from PubChem (CID 157237913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).