(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide

C32H43NO2 — CID 44563680

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

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide (PubChem CID 44563680) has the molecular formula C32H43NO2 and a molecular weight of 473.70 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563680
• Molecular Formula: C32H43NO2
• Molecular Weight: 473.70 g/mol
• Exact Mass: 473.33
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide
• SMILES: C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc2ccccc12
• InChI: InChI=1S/C32H43NO2/c1-28(27-34)33-32(35)26-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21-29-23-20-24-30-22-18-19-25-31(29)30/h2,4-5,7-8,10-11,13,18-20,22-25,28,34H,3,6,9,12,14-17,21,26-27H2,1H3,(H,33,35)/b4-2-,7-5-,10-8-,13-11-/t28-/m1/s1
• InChIKey: OSSYCBWLWGBDNV-VHVGVXPPSA-N
• XLogP: 7.61
• 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	473.70
LogP ≤ 5	7.61
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-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide (CID 44563680) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide.

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

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc2ccccc12.

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

The InChIKey is OSSYCBWLWGBDNV-VHVGVXPPSA-N. The full InChI is InChI=1S/C32H43NO2/c1-28(27-34)33-32(35)26-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21-29-23-20-24-30-22-18-19-25-31(29)30/h2,4-5,7-8,10-11,13,18-20,22-25,28,34H,3,6,9,12,14-17,21,26-27H2,1H3,(H,33,35)/b4-2-,7-5-,10-8-,13-11-/t28-/m1/s1.

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

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-19-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide has a molecular weight of 473.70 g/mol, XLogP of 7.61, 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-naphthalen-1-ylnonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).