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

C21H47NO4 — CID 142464676

IUPAC2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
SMILESCC(C)(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C10H21NO2.C6H14O.C5H12O/c1-9(2,3)7-10(4,5)11-8(13)6-12;1-6(2)4-5-7-3;1-5(2)3-4-6/h12H,6-7H2,1-5H3,(H,11,13);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyXBESEXYCFKPLRX-UHFFFAOYSA-N
MW377.61 g/mol
LogP4.01
Rot. Bonds8

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

2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol (PubChem CID 142464676) has the molecular formula C21H47NO4 and a molecular weight of 377.61 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
PubChem CID142464676
Molecular FormulaC21H47NO4
Molecular Weight377.61 g/mol
Exact Mass377.35
IUPAC Name2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
SMILESCC(C)(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C10H21NO2.C6H14O.C5H12O/c1-9(2,3)7-10(4,5)11-8(13)6-12;1-6(2)4-5-7-3;1-5(2)3-4-6/h12H,6-7H2,1-5H3,(H,11,13);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyXBESEXYCFKPLRX-UHFFFAOYSA-N
XLogP4.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 54.01
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-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The IUPAC name of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol (CID 142464676) is 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol.
What is the SMILES notation for 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The canonical SMILES for 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol is CC(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-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
The InChIKey is XBESEXYCFKPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C6H14O.C5H12O/c1-9(2,3)7-10(4,5)11-8(13)6-12;1-6(2)4-5-7-3;1-5(2)3-4-6/h12H,6-7H2,1-5H3,(H,11,13);6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol?
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol has a molecular weight of 377.61 g/mol, XLogP of 4.01, 8 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-trimethylpentan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol is sourced from PubChem (CID 142464676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).