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

C29H43NO2 — CID 44563710

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

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide (PubChem CID 44563710) has the molecular formula C29H43NO2 and a molecular weight of 437.67 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563710
• Molecular Formula: C29H43NO2
• Molecular Weight: 437.67 g/mol
• Exact Mass: 437.33
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide
• SMILES: Cc1cccc(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1
• InChI: InChI=1S/C29H43NO2/c1-26-20-19-22-28(24-26)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-29(32)30-27(2)25-31/h3,5-6,8-9,11-12,14,19-20,22,24,27,31H,4,7,10,13,15-18,21,23,25H2,1-2H3,(H,30,32)/b5-3-,8-6-,11-9-,14-12-/t27-/m1/s1
• InChIKey: GGPCEFMLVNTWLQ-UWIPZTJSSA-N
• XLogP: 6.77
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.67
LogP ≤ 5	6.77
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-methylphenyl)nonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide (CID 44563710) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide.

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

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide is Cc1cccc(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1.

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

The InChIKey is GGPCEFMLVNTWLQ-UWIPZTJSSA-N. The full InChI is InChI=1S/C29H43NO2/c1-26-20-19-22-28(24-26)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-29(32)30-27(2)25-31/h3,5-6,8-9,11-12,14,19-20,22,24,27,31H,4,7,10,13,15-18,21,23,25H2,1-2H3,(H,30,32)/b5-3-,8-6-,11-9-,14-12-/t27-/m1/s1.

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

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-(3-methylphenyl)nonadeca-5,8,11,14-tetraenamide has a molecular weight of 437.67 g/mol, XLogP of 6.77, 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-methylphenyl)nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).