(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide

C34H59NO7 — CID 171841657

IUPAC(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOCCOCCOCCOCCOCCC(C)=O
InChIInChI=1S/C34H59NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(37)35-22-24-39-26-28-41-30-32-42-31-29-40-27-25-38-23-21-33(2)36/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-32H2,1-2H3,(H,35,37)/b8-7-,11-10-,14-13-,17-16-
InChIKeyLEUMMGBXHAHCSW-ZKWNWVNESA-N
MW593.85 g/mol
LogP6.31
Rot. Bonds32

About (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide (PubChem CID 171841657) has the molecular formula C34H59NO7 and a molecular weight of 593.85 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide
PubChem CID171841657
Molecular FormulaC34H59NO7
Molecular Weight593.85 g/mol
Exact Mass593.43
IUPAC Name(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOCCOCCOCCOCCOCCC(C)=O
InChIInChI=1S/C34H59NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(37)35-22-24-39-26-28-41-30-32-42-31-29-40-27-25-38-23-21-33(2)36/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-32H2,1-2H3,(H,35,37)/b8-7-,11-10-,14-13-,17-16-
InChIKeyLEUMMGBXHAHCSW-ZKWNWVNESA-N
XLogP6.31
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.85
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide 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 (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide (CID 171841657) is (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOCCOCCOCCOCCOCCC(C)=O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is LEUMMGBXHAHCSW-ZKWNWVNESA-N. The full InChI is InChI=1S/C34H59NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(37)35-22-24-39-26-28-41-30-32-42-31-29-40-27-25-38-23-21-33(2)36/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-32H2,1-2H3,(H,35,37)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 593.85 g/mol, XLogP of 6.31, 32 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 171841657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).