ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide

C26H55FN4O6 — CID 142616304

About ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide

ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide (PubChem CID 142616304) has the molecular formula C26H55FN4O6 and a molecular weight of 538.75 g/mol. Its IUPAC name is ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide.

Molecular Properties

• Compound Name: ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
• PubChem CID: 142616304
• Molecular Formula: C26H55FN4O6
• Molecular Weight: 538.75 g/mol
• Exact Mass: 538.41
• IUPAC Name: ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
• SMILES: CC.CC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1
• InChI: InChI=1S/C24H49FN4O6.C2H6/c1-22(2)26-4-11-31-14-16-33-18-19-34-17-15-32-12-9-28-5-7-29(8-6-28)10-13-35-21-24(25)20-27-23(3)30;1-2/h22,24,26H,4-21H2,1-3H3,(H,27,30);1-2H3
• InChIKey: JXRMFOFWBDAYHS-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 93.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.75
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?

The IUPAC name of ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide (CID 142616304) is ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide.

What is the SMILES notation for ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?

The canonical SMILES for ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide is CC.CC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1.

What is the InChIKey of ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?

The InChIKey is JXRMFOFWBDAYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FN4O6.C2H6/c1-22(2)26-4-11-31-14-16-33-18-19-34-17-15-32-12-9-28-5-7-29(8-6-28)10-13-35-21-24(25)20-27-23(3)30;1-2/h22,24,26H,4-21H2,1-3H3,(H,27,30);1-2H3.

What are the key properties of ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?

ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide has a molecular weight of 538.75 g/mol, XLogP of 1.19, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide is sourced from PubChem (CID 142616304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).