N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide

C19H40FN3O4 — CID 155750887

About N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide

N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide (PubChem CID 155750887) has the molecular formula C19H40FN3O4 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
• PubChem CID: 155750887
• Molecular Formula: C19H40FN3O4
• Molecular Weight: 393.54 g/mol
• Exact Mass: 393.30
• IUPAC Name: N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
• SMILES: CCC(=O)NCC(F)C(C)(C)OCCOCCNCCOCCNC(C)C
• InChI: InChI=1S/C19H40FN3O4/c1-6-18(24)23-15-17(20)19(4,5)27-14-13-26-11-8-21-7-10-25-12-9-22-16(2)3/h16-17,21-22H,6-15H2,1-5H3,(H,23,24)
• InChIKey: SIXDDTLWGPTUBL-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 80.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.54
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide?

The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide (CID 155750887) is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide.

What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide?

The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide is CCC(=O)NCC(F)C(C)(C)OCCOCCNCCOCCNC(C)C.

What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide?

The InChIKey is SIXDDTLWGPTUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FN3O4/c1-6-18(24)23-15-17(20)19(4,5)27-14-13-26-11-8-21-7-10-25-12-9-22-16(2)3/h16-17,21-22H,6-15H2,1-5H3,(H,23,24).

What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide?

N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide has a molecular weight of 393.54 g/mol, XLogP of 1.27, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide is sourced from PubChem (CID 155750887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).