(E)-N-(2-hydroxyethyl)octadec-9-enamide

C20H39NO2 — CID 5353809

IUPAC(E)-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9+
InChIKeyBOWVQLFMWHZBEF-MDZDMXLPSA-N
MW325.54 g/mol
LogP5.13
Rot. Bonds17

About (E)-N-(2-hydroxyethyl)octadec-9-enamide

(E)-N-(2-hydroxyethyl)octadec-9-enamide (PubChem CID 5353809) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)octadec-9-enamide
PubChem CID5353809
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(E)-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9+
InChIKeyBOWVQLFMWHZBEF-MDZDMXLPSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-hydroxyethyl)octadec-9-enamide 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 (E)-N-(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)octadec-9-enamide (CID 5353809) is (E)-N-(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)octadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is BOWVQLFMWHZBEF-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9+.
What are the key properties of (E)-N-(2-hydroxyethyl)octadec-9-enamide?
(E)-N-(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.13, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 5353809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).