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

C26H43NO2 — CID 10573139

IUPAC2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C26H43NO2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(28)27-22-20(3)17-19(2)21-18-26(6,7)29-23(21)22/h17H,8-16,18H2,1-7H3,(H,27,28)
InChIKeyDPUQIADAQIHYQU-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.51
Rot. Bonds11

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

2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide (PubChem CID 10573139) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide
PubChem CID10573139
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2
InChIInChI=1S/C26H43NO2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(28)27-22-20(3)17-19(2)21-18-26(6,7)29-23(21)22/h17H,8-16,18H2,1-7H3,(H,27,28)
InChIKeyDPUQIADAQIHYQU-UHFFFAOYSA-N
XLogP7.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.51
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)dodecanamide?
The IUPAC name of 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide (CID 10573139) is 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide is CCCCCCCCCCC(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)dodecanamide?
The InChIKey is DPUQIADAQIHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(28)27-22-20(3)17-19(2)21-18-26(6,7)29-23(21)22/h17H,8-16,18H2,1-7H3,(H,27,28).
What are the key properties of 2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide?
2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)dodecanamide has a molecular weight of 401.64 g/mol, XLogP of 7.51, 11 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)dodecanamide is sourced from PubChem (CID 10573139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).