2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol

C23H51NO4 — CID 142464538

IUPAC2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C12H25NO2.C6H14O.C5H12O/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14;1-6(2)4-5-7-3;1-5(2)3-4-6/h9,14H,7-8H2,1-6H3,(H,13,15);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyRTYKLWKTXYUZEB-UHFFFAOYSA-N
MW405.66 g/mol
LogP4.65
Rot. Bonds10

About 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol

2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol (PubChem CID 142464538) has the molecular formula C23H51NO4 and a molecular weight of 405.66 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
PubChem CID142464538
Molecular FormulaC23H51NO4
Molecular Weight405.66 g/mol
Exact Mass405.38
IUPAC Name2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C12H25NO2.C6H14O.C5H12O/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14;1-6(2)4-5-7-3;1-5(2)3-4-6/h9,14H,7-8H2,1-6H3,(H,13,15);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyRTYKLWKTXYUZEB-UHFFFAOYSA-N
XLogP4.65
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.66
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The IUPAC name of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol (CID 142464538) is 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol.
What is the SMILES notation for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The canonical SMILES for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol is CC(C)C(C)(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C.
What is the InChIKey of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The InChIKey is RTYKLWKTXYUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C6H14O.C5H12O/c1-9(2)11(3,4)8-12(5,6)13-10(15)7-14;1-6(2)4-5-7-3;1-5(2)3-4-6/h9,14H,7-8H2,1-6H3,(H,13,15);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol has a molecular weight of 405.66 g/mol, XLogP of 4.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol is sourced from PubChem (CID 142464538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).