N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

C11H23NO2 — CID 79387562

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(8-11(4,5)14)10(13)7-9(2)3/h9,14H,6-8H2,1-5H3
InChIKeyXSKBDAVGVKYFKD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.65
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (PubChem CID 79387562) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
PubChem CID79387562
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(8-11(4,5)14)10(13)7-9(2)3/h9,14H,6-8H2,1-5H3
InChIKeyXSKBDAVGVKYFKD-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (CID 79387562) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is CCN(CC(C)(C)O)C(=O)CC(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The InChIKey is XSKBDAVGVKYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(8-11(4,5)14)10(13)7-9(2)3/h9,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 79387562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).