N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide

C23H43NO2Si — CID 15037050

IUPACN-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C23H43NO2Si/c1-5-9-10-11-12-13-14-15-16-17-22(25)24-19-21-18-23(26-20-21)27(6-2,7-3)8-4/h18,20H,5-17,19H2,1-4H3,(H,24,25)
InChIKeyPGWKGDYOBWBKIL-UHFFFAOYSA-N
MW393.69 g/mol
LogP6.53
Rot. Bonds16

About N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide

N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide (PubChem CID 15037050) has the molecular formula C23H43NO2Si and a molecular weight of 393.69 g/mol. Its IUPAC name is N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide.

Molecular Properties

Compound NameN-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide
PubChem CID15037050
Molecular FormulaC23H43NO2Si
Molecular Weight393.69 g/mol
Exact Mass393.31
IUPAC NameN-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C23H43NO2Si/c1-5-9-10-11-12-13-14-15-16-17-22(25)24-19-21-18-23(26-20-21)27(6-2,7-3)8-4/h18,20H,5-17,19H2,1-4H3,(H,24,25)
InChIKeyPGWKGDYOBWBKIL-UHFFFAOYSA-N
XLogP6.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.69
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
CID 19019904
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide
CID 70677441
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-benzylundecanamide
CID 5078198
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(4-bromophenyl)methyl]octanamide
CID 60582799

Frequently Asked Questions

What is the IUPAC name of N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide?
The IUPAC name of N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide (CID 15037050) is N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide.
What is the SMILES notation for N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide?
The canonical SMILES for N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide is CCCCCCCCCCCC(=O)NCc1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide?
The InChIKey is PGWKGDYOBWBKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2Si/c1-5-9-10-11-12-13-14-15-16-17-22(25)24-19-21-18-23(26-20-21)27(6-2,7-3)8-4/h18,20H,5-17,19H2,1-4H3,(H,24,25).
What are the key properties of N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide?
N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide has a molecular weight of 393.69 g/mol, XLogP of 6.53, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-triethylsilylfuran-3-yl)methyl]dodecanamide is sourced from PubChem (CID 15037050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).