(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide

C20H33NO3 — CID 171120630

IUPAC(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide
SMILESCCCCCC/C=C\CCCCC/C=C/C(=O)NC1CCOC1=O
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,14-15,18H,2-6,9-13,16-17H2,1H3,(H,21,22)/b8-7-,15-14+
InChIKeyMZUTXNYGWVEQSH-QSAGCDLMSA-N
MW335.49 g/mol
LogP4.45
Rot. Bonds13

About (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide

(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide (PubChem CID 171120630) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide.

Molecular Properties

Compound Name(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide
PubChem CID171120630
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide
SMILESCCCCCC/C=C\CCCCC/C=C/C(=O)NC1CCOC1=O
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,14-15,18H,2-6,9-13,16-17H2,1H3,(H,21,22)/b8-7-,15-14+
InChIKeyMZUTXNYGWVEQSH-QSAGCDLMSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-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 (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide?
The IUPAC name of (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide (CID 171120630) is (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide.
What is the SMILES notation for (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide?
The canonical SMILES for (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide is CCCCCC/C=C\CCCCC/C=C/C(=O)NC1CCOC1=O.
What is the InChIKey of (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide?
The InChIKey is MZUTXNYGWVEQSH-QSAGCDLMSA-N. The full InChI is InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,14-15,18H,2-6,9-13,16-17H2,1H3,(H,21,22)/b8-7-,15-14+.
What are the key properties of (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide?
(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide has a molecular weight of 335.49 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide is sourced from PubChem (CID 171120630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).