(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide

C23H39NO2 — CID 46210310

IUPAC(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C23H39NO2/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-23(26)24-20-21-25/h7-10,14-15,17-18,22,25H,3-6,11-13,16,19-21H2,1-2H3,(H,24,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
InChIKeyHPZWGIGIINAFKI-VVFVXTANSA-N
MW361.57 g/mol
LogP5.49
Rot. Bonds16

About (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide (PubChem CID 46210310) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide
PubChem CID46210310
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C23H39NO2/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-23(26)24-20-21-25/h7-10,14-15,17-18,22,25H,3-6,11-13,16,19-21H2,1-2H3,(H,24,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
InChIKeyHPZWGIGIINAFKI-VVFVXTANSA-N
XLogP5.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.49
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,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide (CID 46210310) is (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide?
The InChIKey is HPZWGIGIINAFKI-VVFVXTANSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-23(26)24-20-21-25/h7-10,14-15,17-18,22,25H,3-6,11-13,16,19-21H2,1-2H3,(H,24,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1.
What are the key properties of (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.49, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 46210310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).