4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride

C29H45ClN2O2 — CID 11562216

About 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride

4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride (PubChem CID 11562216) has the molecular formula C29H45ClN2O2 and a molecular weight of 489.14 g/mol. Its IUPAC name is 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride
• PubChem CID: 11562216
• Molecular Formula: C29H45ClN2O2
• Molecular Weight: 489.14 g/mol
• Exact Mass: 488.32
• IUPAC Name: 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride
• SMILES: CCCCCN(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)c1ccc(O)cc1.Cl
• InChI: InChI=1S/C29H44N2O2.ClH/c1-3-4-18-25-31(2)26-19-16-14-12-10-8-6-5-7-9-11-13-15-17-24-30-29(33)27-20-22-28(32)23-21-27;/h5-6,9-12,16,19-23,32H,3-4,7-8,13-15,17-18,24-26H2,1-2H3,(H,30,33);1H/b6-5-,11-9-,12-10-,19-16-
• InChIKey: QTXCWMSJDHEERL-AZXKPHFGSA-N
• XLogP: 7.23
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.14
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride?

The IUPAC name of 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride (CID 11562216) is 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride.

What is the SMILES notation for 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride?

The canonical SMILES for 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride is CCCCCN(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)c1ccc(O)cc1.Cl.

What is the InChIKey of 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride?

The InChIKey is QTXCWMSJDHEERL-AZXKPHFGSA-N. The full InChI is InChI=1S/C29H44N2O2.ClH/c1-3-4-18-25-31(2)26-19-16-14-12-10-8-6-5-7-9-11-13-15-17-24-30-29(33)27-20-22-28(32)23-21-27;/h5-6,9-12,16,19-23,32H,3-4,7-8,13-15,17-18,24-26H2,1-2H3,(H,30,33);1H/b6-5-,11-9-,12-10-,19-16-;.

What are the key properties of 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride?

4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride has a molecular weight of 489.14 g/mol, XLogP of 7.23, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride is sourced from PubChem (CID 11562216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).