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

C14H29NO2 — CID 138474364

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO
InChIInChI=1S/C14H29NO2/c1-12(2,3)10-13(4,5)11(17)15-14(6,7)8-9-16/h16H,8-10H2,1-7H3,(H,15,17)
InChIKeyJHURXFXNACLXRO-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds5

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

N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide (PubChem CID 138474364) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide
PubChem CID138474364
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO
InChIInChI=1S/C14H29NO2/c1-12(2,3)10-13(4,5)11(17)15-14(6,7)8-9-16/h16H,8-10H2,1-7H3,(H,15,17)
InChIKeyJHURXFXNACLXRO-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
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)-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide (CID 138474364) is N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide is CC(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide?
The InChIKey is JHURXFXNACLXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2,3)10-13(4,5)11(17)15-14(6,7)8-9-16/h16H,8-10H2,1-7H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 5 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)-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 138474364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).