(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide

C27H39NO2 — CID 145483279

About (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide

(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide (PubChem CID 145483279) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide.

Molecular Properties

• Compound Name: (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
• PubChem CID: 145483279
• Molecular Formula: C27H39NO2
• Molecular Weight: 409.61 g/mol
• Exact Mass: 409.30
• IUPAC Name: (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
• SMILES: CCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(C)C(C)C(O)c1ccccc1
• InChI: InChI=1S/C27H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(29)28(3)24(2)27(30)25-21-18-17-19-22-25/h6-7,9-10,12-13,15-19,21-22,24,27,30H,4-5,8,11,14,20,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-
• InChIKey: QTACDAINEFNNMX-DOFZRALJSA-N
• XLogP: 6.54
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.61
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide?

The IUPAC name of (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide (CID 145483279) is (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide.

What is the SMILES notation for (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide?

The canonical SMILES for (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide is CCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(C)C(C)C(O)c1ccccc1.

What is the InChIKey of (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide?

The InChIKey is QTACDAINEFNNMX-DOFZRALJSA-N. The full InChI is InChI=1S/C27H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(29)28(3)24(2)27(30)25-21-18-17-19-22-25/h6-7,9-10,12-13,15-19,21-22,24,27,30H,4-5,8,11,14,20,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-.

What are the key properties of (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide?

(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide has a molecular weight of 409.61 g/mol, XLogP of 6.54, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide is sourced from PubChem (CID 145483279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).