N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane

C20H43FN2O5 — CID 155707201

About N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane (PubChem CID 155707201) has the molecular formula C20H43FN2O5 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane.

Molecular Properties

• Compound Name: N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
• PubChem CID: 155707201
• Molecular Formula: C20H43FN2O5
• Molecular Weight: 410.57 g/mol
• Exact Mass: 410.32
• IUPAC Name: N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
• SMILES: CC(C)C.CC(C)NCCOCCOCCOCCOC(C)C(F)CNC=O
• InChI: InChI=1S/C16H33FN2O5.C4H10/c1-14(2)19-4-5-21-6-7-22-8-9-23-10-11-24-15(3)16(17)12-18-13-20;1-4(2)3/h13-16,19H,4-12H2,1-3H3,(H,18,20);4H,1-3H3
• InChIKey: FOPXVIKCNJLGKW-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 78.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.57
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane?

The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane (CID 155707201) is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane.

What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane?

The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane is CC(C)C.CC(C)NCCOCCOCCOCCOC(C)C(F)CNC=O.

What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane?

The InChIKey is FOPXVIKCNJLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O5.C4H10/c1-14(2)19-4-5-21-6-7-22-8-9-23-10-11-24-15(3)16(17)12-18-13-20;1-4(2)3/h13-16,19H,4-12H2,1-3H3,(H,18,20);4H,1-3H3.

What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane?

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane has a molecular weight of 410.57 g/mol, XLogP of 2.19, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane is sourced from PubChem (CID 155707201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).