(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide

C32H45NO3 — CID 158982334

IUPAC(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)C(=O)NCCCC(=O)c1ccccc1O
InChIInChI=1S/C32H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(4-2)32(36)33-27-22-26-31(35)29-24-20-21-25-30(29)34/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,28,34H,3-4,7,10,13,16,19,22-23,26-27H2,1-2H3,(H,33,36)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyJPDSYJJEJBZQJZ-AAQCHOMXSA-N
MW491.72 g/mol
LogP8.03
Rot. Bonds19

About (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 158982334) has the molecular formula C32H45NO3 and a molecular weight of 491.72 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID158982334
Molecular FormulaC32H45NO3
Molecular Weight491.72 g/mol
Exact Mass491.34
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)C(=O)NCCCC(=O)c1ccccc1O
InChIInChI=1S/C32H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(4-2)32(36)33-27-22-26-31(35)29-24-20-21-25-30(29)34/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,28,34H,3-4,7,10,13,16,19,22-23,26-27H2,1-2H3,(H,33,36)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyJPDSYJJEJBZQJZ-AAQCHOMXSA-N
XLogP8.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 58.03
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 (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide 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,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide (CID 158982334) is (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)C(=O)NCCCC(=O)c1ccccc1O.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is JPDSYJJEJBZQJZ-AAQCHOMXSA-N. The full InChI is InChI=1S/C32H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(4-2)32(36)33-27-22-26-31(35)29-24-20-21-25-30(29)34/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,28,34H,3-4,7,10,13,16,19,22-23,26-27H2,1-2H3,(H,33,36)/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 491.72 g/mol, XLogP of 8.03, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 158982334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).