N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide

C9H15NO2 — CID 107989772

IUPACN-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-9(12)10-8(6-11)7(2)3/h7-8,11H,6H2,1-3H3,(H,10,12)
InChIKeyRMDMBWLLXRNZHD-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.14
Rot. Bonds3

About N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide

N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide (PubChem CID 107989772) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide
PubChem CID107989772
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-9(12)10-8(6-11)7(2)3/h7-8,11H,6H2,1-3H3,(H,10,12)
InChIKeyRMDMBWLLXRNZHD-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-amino-3-methylbutan-2-yl)but-2-ynamide
CID 107990479
N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
CID 130660257
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-(1-methylsulfanylpropan-2-yl)but-2-ynamide
CID 131160069
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103513963
2-(but-2-ynylamino)-3-methylbutan-1-ol
CID 79249561
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide (CID 107989772) is N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide is CC#CC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide?
The InChIKey is RMDMBWLLXRNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-9(12)10-8(6-11)7(2)3/h7-8,11H,6H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide?
N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide has a molecular weight of 169.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)but-2-ynamide is sourced from PubChem (CID 107989772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).