4-hydroxy-N-(2-methylpropoxy)pentanamide

C9H19NO3 — CID 82721233

IUPAC4-hydroxy-N-(2-methylpropoxy)pentanamide
SMILESCC(C)CONC(=O)CCC(C)O
InChIInChI=1S/C9H19NO3/c1-7(2)6-13-10-9(12)5-4-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeySELMYQPDIPNPJK-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.85
Rot. Bonds6

About 4-hydroxy-N-(2-methylpropoxy)pentanamide

4-hydroxy-N-(2-methylpropoxy)pentanamide (PubChem CID 82721233) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylpropoxy)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylpropoxy)pentanamide
PubChem CID82721233
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-hydroxy-N-(2-methylpropoxy)pentanamide
SMILESCC(C)CONC(=O)CCC(C)O
InChIInChI=1S/C9H19NO3/c1-7(2)6-13-10-9(12)5-4-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeySELMYQPDIPNPJK-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)butanamide
CID 87986570
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624
3-cyclopentyl-N-(2-methylpropoxy)propanamide
CID 115409709
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
2-(tert-butylamino)-N-(2-methylpropoxy)acetamide
CID 115410316
N-(2-methylpropoxy)-3-piperidin-4-ylpropanamide
CID 82722183
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
N-(2-methylpropoxy)-2-(propylamino)acetamide
CID 82722668
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
(5S)-5-hydroxyhexan-2-one
CID 11491928

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylpropoxy)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-methylpropoxy)pentanamide (CID 82721233) is 4-hydroxy-N-(2-methylpropoxy)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylpropoxy)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-methylpropoxy)pentanamide is CC(C)CONC(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-(2-methylpropoxy)pentanamide?
The InChIKey is SELMYQPDIPNPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)6-13-10-9(12)5-4-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 4-hydroxy-N-(2-methylpropoxy)pentanamide?
4-hydroxy-N-(2-methylpropoxy)pentanamide has a molecular weight of 189.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylpropoxy)pentanamide is sourced from PubChem (CID 82721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).