(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide

C25H35NO2 — CID 44563658

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide (PubChem CID 44563658) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563658
• Molecular Formula: C25H35NO2
• Molecular Weight: 381.56 g/mol
• Exact Mass: 381.27
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide
• SMILES: C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccccc1
• InChI: InChI=1S/C25H35NO2/c1-23(22-27)26-25(28)21-17-12-10-8-6-4-2-3-5-7-9-11-14-18-24-19-15-13-16-20-24/h2,4-5,7-8,10-11,13-16,19-20,23,27H,3,6,9,12,17-18,21-22H2,1H3,(H,26,28)/b4-2-,7-5-,10-8-,14-11-/t23-/m1/s1
• InChIKey: FFQDIJKWWKFNQV-CYKTZUFZSA-N
• XLogP: 5.29
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.56
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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 (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide (CID 44563658) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccccc1.

What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide?

The InChIKey is FFQDIJKWWKFNQV-CYKTZUFZSA-N. The full InChI is InChI=1S/C25H35NO2/c1-23(22-27)26-25(28)21-17-12-10-8-6-4-2-3-5-7-9-11-14-18-24-19-15-13-16-20-24/h2,4-5,7-8,10-11,13-16,19-20,23,27H,3,6,9,12,17-18,21-22H2,1H3,(H,26,28)/b4-2-,7-5-,10-8-,14-11-/t23-/m1/s1.

What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide has a molecular weight of 381.56 g/mol, XLogP of 5.29, 14 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-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).