(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide

C25H43NO2 — CID 5283420

IUPAC(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC[C@H](C)O
InChIInChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-22-23(2)27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m0/s1
InChIKeyISQLXYIUDZLLLP-HRJYBQMVSA-N
MW389.62 g/mol
LogP6.27
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide (PubChem CID 5283420) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide
PubChem CID5283420
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC[C@H](C)O
InChIInChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-22-23(2)27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m0/s1
InChIKeyISQLXYIUDZLLLP-HRJYBQMVSA-N
XLogP6.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.27
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 (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-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-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide (CID 5283420) is (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC[C@H](C)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide?
The InChIKey is ISQLXYIUDZLLLP-HRJYBQMVSA-N. The full InChI is InChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-22-23(2)27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m0/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.27, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-2,2-dimethylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).