(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide

C₁₄H₂₁FN₂O₂ — CID 110482529

About (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide (PubChem CID 110482529) has the molecular formula C₁₄H₂₁FN₂O₂ and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
• PubChem CID: 110482529
• Molecular Formula: C₁₄H₂₁FN₂O₂
• Molecular Weight: 268.33 g/mol
• Exact Mass: 268.16
• IUPAC Name: (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
• SMILES: CCC(C)[C@H](N)C(=O)NCCOc1cccc(F)c1
• InChI: InChI=1S/C14H21FN2O2/c1-3-10(2)13(16)14(18)17-7-8-19-12-6-4-5-11(15)9-12/h4-6,9-10,13H,3,7-8,16H2,1-2H3,(H,17,18)/t10?,13-/m0/s1
• InChIKey: PSAFISZURYIPTF-HQVZTVAUSA-N
• XLogP: 1.69
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.33
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide?

The IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide (CID 110482529) is (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide.

What is the SMILES notation for (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide?

The canonical SMILES for (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCCOc1cccc(F)c1.

What is the InChIKey of (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide?

The InChIKey is PSAFISZURYIPTF-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-10(2)13(16)14(18)17-7-8-19-12-6-4-5-11(15)9-12/h4-6,9-10,13H,3,7-8,16H2,1-2H3,(H,17,18)/t10?,13-/m0/s1.

What are the key properties of (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide?

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide is sourced from PubChem (CID 110482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110482529 — identifiers, structure, computed properties (public domain)

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