(32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide

C59H111NO3 — CID 164504485

About (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide

(32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide (PubChem CID 164504485) has the molecular formula C59H111NO3 and a molecular weight of 882.54 g/mol. Its IUPAC name is (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide.

Molecular Properties

• Compound Name: (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide
• PubChem CID: 164504485
• Molecular Formula: C59H111NO3
• Molecular Weight: 882.54 g/mol
• Exact Mass: 881.86
• IUPAC Name: (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCC
• InChI: InChI=1S/C59H111NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-59(63)60-57(56-61)58(62)54-52-50-48-46-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,57-58,61-62H,3-4,6,8-10,12,14-15,18,21-56H2,1-2H3,(H,60,63)/b7-5-,13-11-,17-16-,20-19-
• InChIKey: ZOCKDSJGWIRTSO-WNXRHBFNSA-N
• XLogP: 18.64
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 52
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.54
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	3
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 (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide?

The IUPAC name of (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide (CID 164504485) is (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide.

What is the SMILES notation for (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide?

The canonical SMILES for (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCC.

What is the InChIKey of (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide?

The InChIKey is ZOCKDSJGWIRTSO-WNXRHBFNSA-N. The full InChI is InChI=1S/C59H111NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-59(63)60-57(56-61)58(62)54-52-50-48-46-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,57-58,61-62H,3-4,6,8-10,12,14-15,18,21-56H2,1-2H3,(H,60,63)/b7-5-,13-11-,17-16-,20-19-.

What are the key properties of (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide?

(32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide has a molecular weight of 882.54 g/mol, XLogP of 18.64, 52 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (32Z,35Z,38Z,41Z)-N-(1,3-dihydroxypentadecan-2-yl)tetratetraconta-32,35,38,41-tetraenamide is sourced from PubChem (CID 164504485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).