N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide

C10H17NO2 — CID 77055644

IUPACN-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)CO
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-7-9(2)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyZSDUFBAKOWFKQQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.86
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide

N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide (PubChem CID 77055644) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
PubChem CID77055644
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)CO
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-7-9(2)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyZSDUFBAKOWFKQQ-UHFFFAOYSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.86
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-(3-hydroxy-2-methylpropyl)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-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide (CID 77055644) is N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The InChIKey is ZSDUFBAKOWFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-7-9(2)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 77055644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).