N-but-3-yn-2-yl-4-hydroxypentanamide

C9H15NO2 — CID 114420373

IUPACN-but-3-yn-2-yl-4-hydroxypentanamide
SMILESC#CC(C)NC(=O)CCC(C)O
InChIInChI=1S/C9H15NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h1,7-8,11H,5-6H2,2-3H3,(H,10,12)
InChIKeyAQRAWJODXDDOCB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds4

About N-but-3-yn-2-yl-4-hydroxypentanamide

N-but-3-yn-2-yl-4-hydroxypentanamide (PubChem CID 114420373) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-hydroxypentanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-hydroxypentanamide
PubChem CID114420373
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-but-3-yn-2-yl-4-hydroxypentanamide
SMILESC#CC(C)NC(=O)CCC(C)O
InChIInChI=1S/C9H15NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h1,7-8,11H,5-6H2,2-3H3,(H,10,12)
InChIKeyAQRAWJODXDDOCB-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
N-but-3-yn-2-ylhexanamide
CID 114389654
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353
N-but-3-yn-2-yl-2-hydroxypropanamide
CID 126994434
4-hydroxy-N-(4-methylpentan-2-yl)pentanamide
CID 79204272
N-(3-ethylpentan-2-yl)-4-hydroxypentanamide
CID 79192022
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
CID 114416749
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-hydroxypentanamide?
The IUPAC name of N-but-3-yn-2-yl-4-hydroxypentanamide (CID 114420373) is N-but-3-yn-2-yl-4-hydroxypentanamide.
What is the SMILES notation for N-but-3-yn-2-yl-4-hydroxypentanamide?
The canonical SMILES for N-but-3-yn-2-yl-4-hydroxypentanamide is C#CC(C)NC(=O)CCC(C)O.
What is the InChIKey of N-but-3-yn-2-yl-4-hydroxypentanamide?
The InChIKey is AQRAWJODXDDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h1,7-8,11H,5-6H2,2-3H3,(H,10,12).
What are the key properties of N-but-3-yn-2-yl-4-hydroxypentanamide?
N-but-3-yn-2-yl-4-hydroxypentanamide has a molecular weight of 169.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-4-hydroxypentanamide is sourced from PubChem (CID 114420373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).