Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate

C₁₅H₂₉NO₄ — CID 142904626

About Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate

Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate (PubChem CID 142904626) has the molecular formula C₁₅H₂₉NO₄ and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate.

Molecular Properties

• Compound Name: Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
• PubChem CID: 142904626
• Molecular Formula: C₁₅H₂₉NO₄
• Molecular Weight: 287.40 g/mol
• Exact Mass: 287.21
• IUPAC Name: ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
• SMILES: CCOC(=O)CCCCCNC(=O)COCCC(C)C
• InChI: InChI=1S/C15H29NO4/c1-4-20-15(18)8-6-5-7-10-16-14(17)12-19-11-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,17)
• InChIKey: QHYRLBUIXRUGRH-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.40
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?

The IUPAC name of Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate (CID 142904626) is ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate.

What is the SMILES notation for Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?

The canonical SMILES for Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate is CCOC(=O)CCCCCNC(=O)COCCC(C)C.

What is the InChIKey of Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?

The InChIKey is QHYRLBUIXRUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-20-15(18)8-6-5-7-10-16-14(17)12-19-11-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,17).

What are the key properties of Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?

Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate has a molecular weight of 287.40 g/mol, XLogP of 2.29, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate is sourced from PubChem (CID 142904626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142904626 — identifiers, structure, computed properties (public domain)

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