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

C28H47NO2 — CID 10598699

IUPAC2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C28H47NO2/c1-8-9-10-11-12-13-14-15-16-17-18-27(4,5)26(30)29-24-22(3)19-21(2)23-20-28(6,7)31-25(23)24/h19H,8-18,20H2,1-7H3,(H,29,30)
InChIKeyQZADXWOGWYMHCN-UHFFFAOYSA-N
MW429.69 g/mol
LogP8.29
Rot. Bonds13

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

2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide (PubChem CID 10598699) has the molecular formula C28H47NO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide
PubChem CID10598699
Molecular FormulaC28H47NO2
Molecular Weight429.69 g/mol
Exact Mass429.36
IUPAC Name2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C28H47NO2/c1-8-9-10-11-12-13-14-15-16-17-18-27(4,5)26(30)29-24-22(3)19-21(2)23-20-28(6,7)31-25(23)24/h19H,8-18,20H2,1-7H3,(H,29,30)
InChIKeyQZADXWOGWYMHCN-UHFFFAOYSA-N
XLogP8.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 58.29
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 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide?
The IUPAC name of 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide (CID 10598699) is 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide is CCCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2.
What is the InChIKey of 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide?
The InChIKey is QZADXWOGWYMHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO2/c1-8-9-10-11-12-13-14-15-16-17-18-27(4,5)26(30)29-24-22(3)19-21(2)23-20-28(6,7)31-25(23)24/h19H,8-18,20H2,1-7H3,(H,29,30).
What are the key properties of 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide?
2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide has a molecular weight of 429.69 g/mol, XLogP of 8.29, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide is sourced from PubChem (CID 10598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).