(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate

C25H46N2O8Si — CID 102112426

IUPAC(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
SMILESCCO[Si](CCCNC(=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O)(OCC)OCC
InChIInChI=1S/C25H46N2O8Si/c1-4-32-36(33-5-2,34-6-3)21-15-20-26-22(28)16-13-11-9-7-8-10-12-14-17-25(31)35-27-23(29)18-19-24(27)30/h4-21H2,1-3H3,(H,26,28)
InChIKeyAVYDXBHHLCGMAN-UHFFFAOYSA-N
MW530.74 g/mol
LogP4.05
Rot. Bonds22

About (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate

(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate (PubChem CID 102112426) has the molecular formula C25H46N2O8Si and a molecular weight of 530.74 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
PubChem CID102112426
Molecular FormulaC25H46N2O8Si
Molecular Weight530.74 g/mol
Exact Mass530.30
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
SMILESCCO[Si](CCCNC(=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O)(OCC)OCC
InChIInChI=1S/C25H46N2O8Si/c1-4-32-36(33-5-2,34-6-3)21-15-20-26-22(28)16-13-11-9-7-8-10-12-14-17-25(31)35-27-23(29)18-19-24(27)30/h4-21H2,1-3H3,(H,26,28)
InChIKeyAVYDXBHHLCGMAN-UHFFFAOYSA-N
XLogP4.05
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate
CID 24826459
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 6-[3-[dimethyl(silyloxy)silyl]propylamino]-6-oxohexanoate
CID 163761392
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440512
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-[3-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoate
CID 118440608
(2,5-dioxopyrrolidin-1-yl) 6-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexanoate
CID 87561673
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
(2,5-dioxopyrrolidin-1-yl) 6-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]hexanoate
CID 101206729
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[2-[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methyl-3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440292

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate (CID 102112426) is (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate is CCO[Si](CCCNC(=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O)(OCC)OCC.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate?
The InChIKey is AVYDXBHHLCGMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O8Si/c1-4-32-36(33-5-2,34-6-3)21-15-20-26-22(28)16-13-11-9-7-8-10-12-14-17-25(31)35-27-23(29)18-19-24(27)30/h4-21H2,1-3H3,(H,26,28).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate?
(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate has a molecular weight of 530.74 g/mol, XLogP of 4.05, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate is sourced from PubChem (CID 102112426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).