N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide

C13H27NO2 — CID 123276873

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)(C)CCO
InChIInChI=1S/C13H27NO2/c1-10(2)9-12(3,4)11(16)14-13(5,6)7-8-15/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyIKHCFKJWHGVMCG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds6

About N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide

N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide (PubChem CID 123276873) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide
PubChem CID123276873
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)(C)CCO
InChIInChI=1S/C13H27NO2/c1-10(2)9-12(3,4)11(16)14-13(5,6)7-8-15/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyIKHCFKJWHGVMCG-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide (CID 123276873) is N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide is CC(C)CC(C)(C)C(=O)NC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide?
The InChIKey is IKHCFKJWHGVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)9-12(3,4)11(16)14-13(5,6)7-8-15/h10,15H,7-9H2,1-6H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide is sourced from PubChem (CID 123276873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).