N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide

C28H47NO2 — CID 10526605

IUPACN-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C28H47NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)29-26-23(3)20-22(2)24-21-28(4,5)31-27(24)26/h20H,6-19,21H2,1-5H3,(H,29,30)
InChIKeyDGMOMLPUBNBRCQ-UHFFFAOYSA-N
MW429.69 g/mol
LogP8.44
Rot. Bonds15

About N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide

N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide (PubChem CID 10526605) has the molecular formula C28H47NO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide.

Molecular Properties

Compound NameN-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide
PubChem CID10526605
Molecular FormulaC28H47NO2
Molecular Weight429.69 g/mol
Exact Mass429.36
IUPAC NameN-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C28H47NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)29-26-23(3)20-22(2)24-21-28(4,5)31-27(24)26/h20H,6-19,21H2,1-5H3,(H,29,30)
InChIKeyDGMOMLPUBNBRCQ-UHFFFAOYSA-N
XLogP8.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide?
The IUPAC name of N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide (CID 10526605) is N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide.
What is the SMILES notation for N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide?
The canonical SMILES for N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2.
What is the InChIKey of N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide?
The InChIKey is DGMOMLPUBNBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)29-26-23(3)20-22(2)24-21-28(4,5)31-27(24)26/h20H,6-19,21H2,1-5H3,(H,29,30).
What are the key properties of N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide?
N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide has a molecular weight of 429.69 g/mol, XLogP of 8.44, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide is sourced from PubChem (CID 10526605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).