2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide

C12H25NO2 — CID 142464539

IUPAC2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)CO
InChIInChI=1S/C12H25NO2/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyJDSIZKHZCMNONB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds5

About 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide

2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide (PubChem CID 142464539) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
PubChem CID142464539
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)CO
InChIInChI=1S/C12H25NO2/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyJDSIZKHZCMNONB-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The IUPAC name of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide (CID 142464539) is 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The canonical SMILES for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide is CC(C)C(C)(C)CC(C)(C)NC(=O)CO.
What is the InChIKey of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The InChIKey is JDSIZKHZCMNONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14/h9,14H,7-8H2,1-6H3,(H,13,15).
What are the key properties of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide is sourced from PubChem (CID 142464539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).