4-hydroxy-N-(2-methylprop-2-enyl)butanamide

C8H15NO2 — CID 114618888

IUPAC4-hydroxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCCO
InChIInChI=1S/C8H15NO2/c1-7(2)6-9-8(11)4-3-5-10/h10H,1,3-6H2,2H3,(H,9,11)
InChIKeyBAZNLWKVFZARAU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

About 4-hydroxy-N-(2-methylprop-2-enyl)butanamide

4-hydroxy-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618888) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618888
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-hydroxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCCO
InChIInChI=1S/C8H15NO2/c1-7(2)6-9-8(11)4-3-5-10/h10H,1,3-6H2,2H3,(H,9,11)
InChIKeyBAZNLWKVFZARAU-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methylprop-2-enyl)butanamide (CID 114618888) is 4-hydroxy-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is BAZNLWKVFZARAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)6-9-8(11)4-3-5-10/h10H,1,3-6H2,2H3,(H,9,11).
What are the key properties of 4-hydroxy-N-(2-methylprop-2-enyl)butanamide?
4-hydroxy-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).