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

C26H39NO3 — CID 44563286

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

(5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide (PubChem CID 44563286) has the molecular formula C26H39NO3 and a molecular weight of 413.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563286
• Molecular Formula: C26H39NO3
• Molecular Weight: 413.60 g/mol
• Exact Mass: 413.29
• IUPAC Name: (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]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\CCCCc1ccoc1
• InChI: InChI=1S/C26H39NO3/c1-24(22-28)27-26(29)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-25-20-21-30-23-25/h2,4-5,7-8,10-11,13,20-21,23-24,28H,3,6,9,12,14-19,22H2,1H3,(H,27,29)/b4-2-,7-5-,10-8-,13-11-/t24-/m1/s1
• InChIKey: UXANYQKGZRIQIU-OJZQPWLLSA-N
• XLogP: 6.05
• TPSA: 62.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.60
LogP ≤ 5	6.05
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 (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide (CID 44563286) is (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide.

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

The canonical SMILES for (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]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\CCCCc1ccoc1.

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

The InChIKey is UXANYQKGZRIQIU-OJZQPWLLSA-N. The full InChI is InChI=1S/C26H39NO3/c1-24(22-28)27-26(29)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-25-20-21-30-23-25/h2,4-5,7-8,10-11,13,20-21,23-24,28H,3,6,9,12,14-19,22H2,1H3,(H,27,29)/b4-2-,7-5-,10-8-,13-11-/t24-/m1/s1.

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

(5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide has a molecular weight of 413.60 g/mol, XLogP of 6.05, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).