N-butyl-2-hydroxy-2-methylpropanamide

C8H17NO2 — CID 71525165

IUPACN-butyl-2-hydroxy-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-4-5-6-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyYQTVZXSITWEQOW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds4

About N-butyl-2-hydroxy-2-methylpropanamide

N-butyl-2-hydroxy-2-methylpropanamide (PubChem CID 71525165) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-butyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-2-methylpropanamide
PubChem CID71525165
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-butyl-2-hydroxy-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-4-5-6-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyYQTVZXSITWEQOW-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-hydroxy-2-methylpropanamide 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-butyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-butyl-2-hydroxy-2-methylpropanamide (CID 71525165) is N-butyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-butyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-butyl-2-hydroxy-2-methylpropanamide is CCCCNC(=O)C(C)(C)O.
What is the InChIKey of N-butyl-2-hydroxy-2-methylpropanamide?
The InChIKey is YQTVZXSITWEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-butyl-2-hydroxy-2-methylpropanamide?
N-butyl-2-hydroxy-2-methylpropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 71525165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).