(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide

C22H37NO3 — CID 10384124

IUPAC(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)17-15-18-22(26)23-19-20-24/h6-7,9-10,12-14,16,21,24-25H,2-5,8,11,15,17-20H2,1H3,(H,23,26)/b7-6-,10-9-,13-12-,16-14+/t21-/m1/s1
InChIKeyMRNMGNVOYBTKOE-CGVLYMEPSA-N
MW363.54 g/mol
LogP4.21
Rot. Bonds16

About (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide

(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide (PubChem CID 10384124) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide
PubChem CID10384124
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)17-15-18-22(26)23-19-20-24/h6-7,9-10,12-14,16,21,24-25H,2-5,8,11,15,17-20H2,1H3,(H,23,26)/b7-6-,10-9-,13-12-,16-14+/t21-/m1/s1
InChIKeyMRNMGNVOYBTKOE-CGVLYMEPSA-N
XLogP4.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide?
The IUPAC name of (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide (CID 10384124) is (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide.
What is the SMILES notation for (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide?
The canonical SMILES for (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO.
What is the InChIKey of (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide?
The InChIKey is MRNMGNVOYBTKOE-CGVLYMEPSA-N. The full InChI is InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)17-15-18-22(26)23-19-20-24/h6-7,9-10,12-14,16,21,24-25H,2-5,8,11,15,17-20H2,1H3,(H,23,26)/b7-6-,10-9-,13-12-,16-14+/t21-/m1/s1.
What are the key properties of (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide?
(5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide has a molecular weight of 363.54 g/mol, XLogP of 4.21, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6E,8Z,11Z,14Z)-5-hydroxy-N-(2-hydroxyethyl)icosa-6,8,11,14-tetraenamide is sourced from PubChem (CID 10384124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).