(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide

C23H39NO2 — CID 5283403

IUPAC(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCO
InChIInChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-
InChIKeyKFUGLIFIBPAGFC-DOFZRALJSA-N
MW361.57 g/mol
LogP5.63
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide (PubChem CID 5283403) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide
PubChem CID5283403
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCO
InChIInChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-
InChIKeyKFUGLIFIBPAGFC-DOFZRALJSA-N
XLogP5.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.63
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide (CID 5283403) is (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is KFUGLIFIBPAGFC-DOFZRALJSA-N. The full InChI is InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.63, 17 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-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).