2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide

C₁₂H₂₆N₂O₃ — CID 81088565

About 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide

2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide (PubChem CID 81088565) has the molecular formula C₁₂H₂₆N₂O₃ and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide.

Molecular Properties

• Compound Name: 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
• PubChem CID: 81088565
• Molecular Formula: C₁₂H₂₆N₂O₃
• Molecular Weight: 246.35 g/mol
• Exact Mass: 246.19
• IUPAC Name: 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
• SMILES: CCOCCN(CC)C(=O)C(N)CCCOC
• InChI: InChI=1S/C12H26N2O3/c1-4-14(8-10-17-5-2)12(15)11(13)7-6-9-16-3/h11H,4-10,13H2,1-3H3
• InChIKey: OQZMLWOJLUWKCF-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.35
LogP ≤ 5	0.63
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 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide?

The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide (CID 81088565) is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide.

What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide?

The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide is CCOCCN(CC)C(=O)C(N)CCCOC.

What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide?

The InChIKey is OQZMLWOJLUWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-14(8-10-17-5-2)12(15)11(13)7-6-9-16-3/h11H,4-10,13H2,1-3H3.

What are the key properties of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide?

2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide is sourced from PubChem (CID 81088565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81088565 — identifiers, structure, computed properties (public domain)

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