N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide

C10H19NO3 — CID 154969198

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
SMILESCC(C)(CCO)CNC(=O)CCC=O
InChIInChI=1S/C10H19NO3/c1-10(2,5-7-13)8-11-9(14)4-3-6-12/h6,13H,3-5,7-8H2,1-2H3,(H,11,14)
InChIKeyHXCJECZFFQEPIX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.49
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide

N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide (PubChem CID 154969198) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
PubChem CID154969198
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
SMILESCC(C)(CCO)CNC(=O)CCC=O
InChIInChI=1S/C10H19NO3/c1-10(2,5-7-13)8-11-9(14)4-3-6-12/h6,13H,3-5,7-8H2,1-2H3,(H,11,14)
InChIKeyHXCJECZFFQEPIX-UHFFFAOYSA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
CID 103772963
2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
CID 169106822
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide (CID 154969198) is N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide is CC(C)(CCO)CNC(=O)CCC=O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide?
The InChIKey is HXCJECZFFQEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,5-7-13)8-11-9(14)4-3-6-12/h6,13H,3-5,7-8H2,1-2H3,(H,11,14).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide is sourced from PubChem (CID 154969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).