N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide

C26H44N2O2 — CID 10811859

IUPACN-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C26H44N2O2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(29)28-22-19(3)21(27)18(2)20-17-26(6,7)30-23(20)22/h8-17,27H2,1-7H3,(H,28,29)
InChIKeyTWXRBDOKQGWRLE-UHFFFAOYSA-N
MW416.65 g/mol
LogP7.09
Rot. Bonds11

About N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide

N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide (PubChem CID 10811859) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide
PubChem CID10811859
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC NameN-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C26H44N2O2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(29)28-22-19(3)21(27)18(2)20-17-26(6,7)30-23(20)22/h8-17,27H2,1-7H3,(H,28,29)
InChIKeyTWXRBDOKQGWRLE-UHFFFAOYSA-N
XLogP7.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide (CID 10811859) is N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide?
The InChIKey is TWXRBDOKQGWRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-8-9-10-11-12-13-14-15-16-25(4,5)24(29)28-22-19(3)21(27)18(2)20-17-26(6,7)30-23(20)22/h8-17,27H2,1-7H3,(H,28,29).
What are the key properties of N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide?
N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide has a molecular weight of 416.65 g/mol, XLogP of 7.09, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 10811859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).