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

C25H43NO2 — CID 5283412

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCC)CCO
InChIInChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)26(22-4-2)23-24-27/h8-9,11-12,14-15,17-18,27H,3-7,10,13,16,19-24H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyAMQKYUDWPCUALW-GKFVBPDJSA-N
MW389.62 g/mol
LogP6.36
Rot. Bonds18

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

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide (PubChem CID 5283412) 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)-N-propylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide
PubChem CID5283412
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCC)CCO
InChIInChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)26(22-4-2)23-24-27/h8-9,11-12,14-15,17-18,27H,3-7,10,13,16,19-24H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyAMQKYUDWPCUALW-GKFVBPDJSA-N
XLogP6.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.36
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide (CID 5283412) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCC)CCO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide?
The InChIKey is AMQKYUDWPCUALW-GKFVBPDJSA-N. The full InChI is InChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)26(22-4-2)23-24-27/h8-9,11-12,14-15,17-18,27H,3-7,10,13,16,19-24H2,1-2H3/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.36, 18 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-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).