(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide

C28H45N3O2 — CID 23658320

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide (PubChem CID 23658320) has the molecular formula C28H45N3O2 and a molecular weight of 455.69 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide
• PubChem CID: 23658320
• Molecular Formula: C28H45N3O2
• Molecular Weight: 455.69 g/mol
• Exact Mass: 455.35
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide
• SMILES: C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCn1ccnc1
• InChI: InChI=1S/C28H45N3O2/c1-26(24-32)30-27(33)18-14-12-10-8-6-4-5-7-9-11-13-15-19-28(2,3)20-16-17-22-31-23-21-29-25-31/h4-5,8-11,15,19,21,23,25-26,32H,6-7,12-14,16-18,20,22,24H2,1-3H3,(H,30,33)/b5-4-,10-8-,11-9-,19-15-/t26-/m1/s1
• InChIKey: PXVAYIZPZAGOEB-COVGAHQNSA-N
• XLogP: 6.14
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.69
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide (CID 23658320) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCn1ccnc1.

What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide?

The InChIKey is PXVAYIZPZAGOEB-COVGAHQNSA-N. The full InChI is InChI=1S/C28H45N3O2/c1-26(24-32)30-27(33)18-14-12-10-8-6-4-5-7-9-11-13-15-19-28(2,3)20-16-17-22-31-23-21-29-25-31/h4-5,8-11,15,19,21,23,25-26,32H,6-7,12-14,16-18,20,22,24H2,1-3H3,(H,30,33)/b5-4-,10-8-,11-9-,19-15-/t26-/m1/s1.

What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide has a molecular weight of 455.69 g/mol, XLogP of 6.14, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-imidazol-1-yl-16,16-dimethylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 23658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).