2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide

C14H27NO2 — CID 160627964

IUPAC2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide
SMILESCCC(=O)CNC(=O)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-11(16)10-15-12(17)14(5,6)9-8-13(2,3)4/h7-10H2,1-6H3,(H,15,17)
InChIKeyUFQRMHZDDLFIER-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.93
Rot. Bonds6

About 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide

2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide (PubChem CID 160627964) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide
PubChem CID160627964
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide
SMILESCCC(=O)CNC(=O)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-11(16)10-15-12(17)14(5,6)9-8-13(2,3)4/h7-10H2,1-6H3,(H,15,17)
InChIKeyUFQRMHZDDLFIER-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide (CID 160627964) is 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide is CCC(=O)CNC(=O)C(C)(C)CCC(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide?
The InChIKey is UFQRMHZDDLFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-11(16)10-15-12(17)14(5,6)9-8-13(2,3)4/h7-10H2,1-6H3,(H,15,17).
What are the key properties of 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide?
2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide has a molecular weight of 241.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide is sourced from PubChem (CID 160627964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).