(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide

C24H45NO2 — CID 57403642

IUPAC(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide
SMILESCCCCC[C@H](O)/C=C/C=C\CCCCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C24H45NO2/c1-4-7-17-20-23(26)21-18-15-13-11-9-8-10-12-14-16-19-22-24(27)25(5-2)6-3/h13,15,18,21,23,26H,4-12,14,16-17,19-20,22H2,1-3H3/b15-13-,21-18+/t23-/m0/s1
InChIKeyOOLNOJDEVPKINF-WPDQABHYSA-N
MW379.63 g/mol
LogP6.42
Rot. Bonds18

About (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide

(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide (PubChem CID 57403642) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide.

Molecular Properties

Compound Name(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide
PubChem CID57403642
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC Name(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide
SMILESCCCCC[C@H](O)/C=C/C=C\CCCCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C24H45NO2/c1-4-7-17-20-23(26)21-18-15-13-11-9-8-10-12-14-16-19-22-24(27)25(5-2)6-3/h13,15,18,21,23,26H,4-12,14,16-17,19-20,22H2,1-3H3/b15-13-,21-18+/t23-/m0/s1
InChIKeyOOLNOJDEVPKINF-WPDQABHYSA-N
XLogP6.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide?
The IUPAC name of (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide (CID 57403642) is (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide.
What is the SMILES notation for (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide?
The canonical SMILES for (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide is CCCCC[C@H](O)/C=C/C=C\CCCCCCCCCC(=O)N(CC)CC.
What is the InChIKey of (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide?
The InChIKey is OOLNOJDEVPKINF-WPDQABHYSA-N. The full InChI is InChI=1S/C24H45NO2/c1-4-7-17-20-23(26)21-18-15-13-11-9-8-10-12-14-16-19-22-24(27)25(5-2)6-3/h13,15,18,21,23,26H,4-12,14,16-17,19-20,22H2,1-3H3/b15-13-,21-18+/t23-/m0/s1.
What are the key properties of (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide?
(11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide has a molecular weight of 379.63 g/mol, XLogP of 6.42, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,13E,15S)-N,N-diethyl-15-hydroxyicosa-11,13-dienamide is sourced from PubChem (CID 57403642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).