2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide

C22H45NO — CID 123857190

IUPAC2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO/c1-16(2)19(6,7)15-22(12,13)23-17(24)20(8,9)14-21(10,11)18(3,4)5/h16H,14-15H2,1-13H3,(H,23,24)
InChIKeySLGGWILNCSXLHS-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.44
Rot. Bonds7

About 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide

2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide (PubChem CID 123857190) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide.

Molecular Properties

Compound Name2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
PubChem CID123857190
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO/c1-16(2)19(6,7)15-22(12,13)23-17(24)20(8,9)14-21(10,11)18(3,4)5/h16H,14-15H2,1-13H3,(H,23,24)
InChIKeySLGGWILNCSXLHS-UHFFFAOYSA-N
XLogP6.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide?
The IUPAC name of 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide (CID 123857190) is 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide.
What is the SMILES notation for 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide?
The canonical SMILES for 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide is CC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide?
The InChIKey is SLGGWILNCSXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-16(2)19(6,7)15-22(12,13)23-17(24)20(8,9)14-21(10,11)18(3,4)5/h16H,14-15H2,1-13H3,(H,23,24).
What are the key properties of 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide?
2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide has a molecular weight of 339.61 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide is sourced from PubChem (CID 123857190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).