N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide

C35H65NO3Si — CID 19019904

IUPACN-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
SMILESCCCCCCCCCCCC(=O)C(CNC(=O)CCCCCCCCCC)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C35H65NO3Si/c1-6-11-13-15-17-19-20-22-24-26-33(37)32(31-28-35(39-30-31)40(8-3,9-4)10-5)29-36-34(38)27-25-23-21-18-16-14-12-7-2/h28,30,32H,6-27,29H2,1-5H3,(H,36,38)
InChIKeyLFXDYUIYYFMZPR-UHFFFAOYSA-N
MW576.00 g/mol
LogP10.22
Rot. Bonds27

About N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide

N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide (PubChem CID 19019904) has the molecular formula C35H65NO3Si and a molecular weight of 576.00 g/mol. Its IUPAC name is N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide.

Molecular Properties

Compound NameN-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
PubChem CID19019904
Molecular FormulaC35H65NO3Si
Molecular Weight576.00 g/mol
Exact Mass575.47
IUPAC NameN-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
SMILESCCCCCCCCCCCC(=O)C(CNC(=O)CCCCCCCCCC)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C35H65NO3Si/c1-6-11-13-15-17-19-20-22-24-26-33(37)32(31-28-35(39-30-31)40(8-3,9-4)10-5)29-36-34(38)27-25-23-21-18-16-14-12-7-2/h28,30,32H,6-27,29H2,1-5H3,(H,36,38)
InChIKeyLFXDYUIYYFMZPR-UHFFFAOYSA-N
XLogP10.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.00
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide
CID 15037050
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
CID 57272898
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
CID 57127967
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
[dodecan-2-ylsulfonyl-[1-(5-triethylsilylfuran-3-yl)ethyl]amino] acetate
CID 57000508
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
N-(2-aminopropyl)octadecanamide
CID 86003506
N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
CID 19915268
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide?
The IUPAC name of N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide (CID 19019904) is N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide.
What is the SMILES notation for N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide?
The canonical SMILES for N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide is CCCCCCCCCCCC(=O)C(CNC(=O)CCCCCCCCCC)c1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide?
The InChIKey is LFXDYUIYYFMZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65NO3Si/c1-6-11-13-15-17-19-20-22-24-26-33(37)32(31-28-35(39-30-31)40(8-3,9-4)10-5)29-36-34(38)27-25-23-21-18-16-14-12-7-2/h28,30,32H,6-27,29H2,1-5H3,(H,36,38).
What are the key properties of N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide?
N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide has a molecular weight of 576.00 g/mol, XLogP of 10.22, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide is sourced from PubChem (CID 19019904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).