(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide

C28H41NO2 — CID 10002429

IUPAC(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C28H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(30)29-25-26-21-20-22-27(24-26)31-2/h7-8,10-11,13-14,16-17,20-22,24H,3-6,9,12,15,18-19,23,25H2,1-2H3,(H,29,30)/b8-7-,11-10-,14-13-,17-16-
InChIKeyUTIZQJLALOGMDO-ZKWNWVNESA-N
MW423.64 g/mol
LogP7.46
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 10002429) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
PubChem CID10002429
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C28H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(30)29-25-26-21-20-22-27(24-26)31-2/h7-8,10-11,13-14,16-17,20-22,24H,3-6,9,12,15,18-19,23,25H2,1-2H3,(H,29,30)/b8-7-,11-10-,14-13-,17-16-
InChIKeyUTIZQJLALOGMDO-ZKWNWVNESA-N
XLogP7.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 57.46
H-Bond Donors ≤ 51
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 (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide (CID 10002429) is (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccc(OC)c1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is UTIZQJLALOGMDO-ZKWNWVNESA-N. The full InChI is InChI=1S/C28H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(30)29-25-26-21-20-22-27(24-26)31-2/h7-8,10-11,13-14,16-17,20-22,24H,3-6,9,12,15,18-19,23,25H2,1-2H3,(H,29,30)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 423.64 g/mol, XLogP of 7.46, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10002429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).