(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide

C25H43NO2 — CID 5283458

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C(=O)NCCO)C(C)C
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26,28)/b9-8-,12-11-,15-14-,18-17-
InChIKeyHRUFJXCYLZUGDU-GKFVBPDJSA-N
MW389.62 g/mol
LogP6.12
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide (PubChem CID 5283458) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide
PubChem CID5283458
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C(=O)NCCO)C(C)C
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26,28)/b9-8-,12-11-,15-14-,18-17-
InChIKeyHRUFJXCYLZUGDU-GKFVBPDJSA-N
XLogP6.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.12
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'}

Analyze (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
CID 169175675
(9E,12E)-2-propan-2-yloctadeca-9,12-dienoic acid
CID 23175818
(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
CID 14359702
(9E,12E)-2-propan-2-yloctadeca-9,12-dienoate
CID 23175817
(3E,6E)-henicosa-3,6-dien-1-ol
CID 141187941
2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
CID 174595895
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide (CID 5283458) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C(=O)NCCO)C(C)C.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide?
The InChIKey is HRUFJXCYLZUGDU-GKFVBPDJSA-N. The full InChI is InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26,28)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.12, 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-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).