2-amino-1-hydroxyicosa-11,14-dien-3-one

C20H37NO2 — CID 57119524

IUPAC2-amino-1-hydroxyicosa-11,14-dien-3-one
SMILESCCCCCC=CCC=CCCCCCCCC(=O)C(N)CO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h6-7,9-10,19,22H,2-5,8,11-18,21H2,1H3
InChIKeyWMNLHEVCWHADCS-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.69
Rot. Bonds16

About 2-amino-1-hydroxyicosa-11,14-dien-3-one

2-amino-1-hydroxyicosa-11,14-dien-3-one (PubChem CID 57119524) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-amino-1-hydroxyicosa-11,14-dien-3-one.

Molecular Properties

Compound Name2-amino-1-hydroxyicosa-11,14-dien-3-one
PubChem CID57119524
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name2-amino-1-hydroxyicosa-11,14-dien-3-one
SMILESCCCCCC=CCC=CCCCCCCCC(=O)C(N)CO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h6-7,9-10,19,22H,2-5,8,11-18,21H2,1H3
InChIKeyWMNLHEVCWHADCS-UHFFFAOYSA-N
XLogP4.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-1-hydroxyicosa-11,14-dien-3-one 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 2-amino-1-hydroxyicosa-11,14-dien-3-one?
The IUPAC name of 2-amino-1-hydroxyicosa-11,14-dien-3-one (CID 57119524) is 2-amino-1-hydroxyicosa-11,14-dien-3-one.
What is the SMILES notation for 2-amino-1-hydroxyicosa-11,14-dien-3-one?
The canonical SMILES for 2-amino-1-hydroxyicosa-11,14-dien-3-one is CCCCCC=CCC=CCCCCCCCC(=O)C(N)CO.
What is the InChIKey of 2-amino-1-hydroxyicosa-11,14-dien-3-one?
The InChIKey is WMNLHEVCWHADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h6-7,9-10,19,22H,2-5,8,11-18,21H2,1H3.
What are the key properties of 2-amino-1-hydroxyicosa-11,14-dien-3-one?
2-amino-1-hydroxyicosa-11,14-dien-3-one has a molecular weight of 323.52 g/mol, XLogP of 4.69, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxyicosa-11,14-dien-3-one is sourced from PubChem (CID 57119524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).