(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide

C29H40F3NO2 — CID 44563709

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide (PubChem CID 44563709) has the molecular formula C29H40F3NO2 and a molecular weight of 491.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563709
• Molecular Formula: C29H40F3NO2
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.30
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide
• SMILES: C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C29H40F3NO2/c1-25(24-34)33-28(35)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(23-26)29(30,31)32/h2,4-5,7-8,10-11,13,18,20-21,23,25,34H,3,6,9,12,14-17,19,22,24H2,1H3,(H,33,35)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1
• InChIKey: HEBXAVJSEPQNGG-OGKKXEKVSA-N
• XLogP: 7.48
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	7.48
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]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide (CID 44563709) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(C(F)(F)F)c1.

What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide?

The InChIKey is HEBXAVJSEPQNGG-OGKKXEKVSA-N. The full InChI is InChI=1S/C29H40F3NO2/c1-25(24-34)33-28(35)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(23-26)29(30,31)32/h2,4-5,7-8,10-11,13,18,20-21,23,25,34H,3,6,9,12,14-17,19,22,24H2,1H3,(H,33,35)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1.

What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide has a molecular weight of 491.64 g/mol, XLogP of 7.48, 17 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]-19-[3-(trifluoromethyl)phenyl]nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).