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

C19H38FN3O5 — CID 170005351

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

N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide (PubChem CID 170005351) has the molecular formula C19H38FN3O5 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide
• PubChem CID: 170005351
• Molecular Formula: C19H38FN3O5
• Molecular Weight: 407.53 g/mol
• Exact Mass: 407.28
• IUPAC Name: N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide
• SMILES: CCC(=O)NCC(F)C(C)(C)OCC(=O)NCCOCCOCCNC(C)C
• InChI: InChI=1S/C19H38FN3O5/c1-6-17(24)23-13-16(20)19(4,5)28-14-18(25)22-8-10-27-12-11-26-9-7-21-15(2)3/h15-16,21H,6-14H2,1-5H3,(H,22,25)(H,23,24)
• InChIKey: QAXASWHNGLXMEL-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 97.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.53
LogP ≤ 5	0.79
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-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide?

The IUPAC name of N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide (CID 170005351) is N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide.

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

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

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

The InChIKey is QAXASWHNGLXMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38FN3O5/c1-6-17(24)23-13-16(20)19(4,5)28-14-18(25)22-8-10-27-12-11-26-9-7-21-15(2)3/h15-16,21H,6-14H2,1-5H3,(H,22,25)(H,23,24).

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

N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide has a molecular weight of 407.53 g/mol, XLogP of 0.79, 17 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-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide is sourced from PubChem (CID 170005351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).