N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide

C11H19NO2 — CID 77046922

IUPACN-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CC)CO
InChIInChI=1S/C11H19NO2/c1-4-6-7-8-10(14)12-11(3,5-2)9-13/h4,6-8,13H,5,9H2,1-3H3,(H,12,14)
InChIKeyXEEGJOFOENNVOC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide

N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide (PubChem CID 77046922) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
PubChem CID77046922
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CC)CO
InChIInChI=1S/C11H19NO2/c1-4-6-7-8-10(14)12-11(3,5-2)9-13/h4,6-8,13H,5,9H2,1-3H3,(H,12,14)
InChIKeyXEEGJOFOENNVOC-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide 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-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide (CID 77046922) is N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)(CC)CO.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide?
The InChIKey is XEEGJOFOENNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-7-8-10(14)12-11(3,5-2)9-13/h4,6-8,13H,5,9H2,1-3H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide?
N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide has a molecular weight of 197.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 77046922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).