2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide

C19H39NO — CID 178052138

IUPAC2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide
SMILESCCC(C)(C)CC(C)(C)C(=O)NCC(C)(C)C(C)(C)CC
InChIInChI=1S/C19H39NO/c1-11-16(3,4)13-17(5,6)15(21)20-14-19(9,10)18(7,8)12-2/h11-14H2,1-10H3,(H,20,21)
InChIKeyGANKBFMEXIHBEJ-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.42
Rot. Bonds8

About 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide

2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide (PubChem CID 178052138) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide
PubChem CID178052138
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide
SMILESCCC(C)(C)CC(C)(C)C(=O)NCC(C)(C)C(C)(C)CC
InChIInChI=1S/C19H39NO/c1-11-16(3,4)13-17(5,6)15(21)20-14-19(9,10)18(7,8)12-2/h11-14H2,1-10H3,(H,20,21)
InChIKeyGANKBFMEXIHBEJ-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.42
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-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide (CID 178052138) is 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide is CCC(C)(C)CC(C)(C)C(=O)NCC(C)(C)C(C)(C)CC.
What is the InChIKey of 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide?
The InChIKey is GANKBFMEXIHBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-11-16(3,4)13-17(5,6)15(21)20-14-19(9,10)18(7,8)12-2/h11-14H2,1-10H3,(H,20,21).
What are the key properties of 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide?
2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide has a molecular weight of 297.53 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide is sourced from PubChem (CID 178052138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).