(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide

C25H41NO2 — CID 23625079

IUPAC(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
InChIKeyQQFFLHVQHLWKTA-XSQXPFHXSA-N
MW387.61 g/mol
LogP6.43
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 23625079) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
PubChem CID23625079
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
InChIKeyQQFFLHVQHLWKTA-XSQXPFHXSA-N
XLogP6.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.43
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-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide with MolForge

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Launch Full Analysis

Related Compounds

2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
1-(decanoylamino)-3-(oxolan-2-ylmethyl)thiourea
CID 17373451
N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
CID 2013
(9E,12E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide
CID 66695425
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide
CID 10529203
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide (CID 23625079) is (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is QQFFLHVQHLWKTA-XSQXPFHXSA-N. The full InChI is InChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 387.61 g/mol, XLogP of 6.43, 16 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-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 23625079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).