(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide

C25H38N2O2 — CID 89426430

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 89426430) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

• Compound Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide
• PubChem CID: 89426430
• Molecular Formula: C25H38N2O2
• Molecular Weight: 398.59 g/mol
• Exact Mass: 398.29
• IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](C)C(N)=O
• InChI: InChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-23(2)25(26)29/h4-5,7-8,10-11,13-14,16-17,19-20,23H,3,6,9,12,15,18,21-22H2,1-2H3,(H2,26,29)(H,27,28)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t23-/m0/s1
• InChIKey: PLCGAUCTZYQDGT-MORMTOSTSA-N
• XLogP: 5.45
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.59
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide?

The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide (CID 89426430) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide.

What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide?

The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](C)C(N)=O.

What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide?

The InChIKey is PLCGAUCTZYQDGT-MORMTOSTSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-23(2)25(26)29/h4-5,7-8,10-11,13-14,16-17,19-20,23H,3,6,9,12,15,18,21-22H2,1-2H3,(H2,26,29)(H,27,28)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t23-/m0/s1.

What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide?

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 398.59 g/mol, XLogP of 5.45, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 89426430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).