N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide

C11H23NO2 — CID 64556967

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO2/c1-6-10(3,4)9(14)12-11(5,7-2)8-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyJLRSRFUDKQLUQY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide (PubChem CID 64556967) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide
PubChem CID64556967
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO2/c1-6-10(3,4)9(14)12-11(5,7-2)8-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyJLRSRFUDKQLUQY-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide (CID 64556967) is N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide is CCC(C)(CO)NC(=O)C(C)(C)CC.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is JLRSRFUDKQLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-10(3,4)9(14)12-11(5,7-2)8-13/h13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 64556967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).