(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide

C₁₁H₂₄N₂O₂ — CID 107569737

About (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide

(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide (PubChem CID 107569737) has the molecular formula C₁₁H₂₄N₂O₂ and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
• PubChem CID: 107569737
• Molecular Formula: C₁₁H₂₄N₂O₂
• Molecular Weight: 216.32 g/mol
• Exact Mass: 216.18
• IUPAC Name: (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
• SMILES: CCC[C@H](N)C(=O)N(CC)CCOCC
• InChI: InChI=1S/C11H24N2O2/c1-4-7-10(12)11(14)13(5-2)8-9-15-6-3/h10H,4-9,12H2,1-3H3/t10-/m0/s1
• InChIKey: LSLBMCXKDUBWNX-JTQLQIEISA-N
• XLogP: 1.00
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.32
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
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-ethoxyethyl)-N-ethylpentanamide?

The IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide (CID 107569737) is (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide.

What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide?

The canonical SMILES for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide is CCC[C@H](N)C(=O)N(CC)CCOCC.

What is the InChIKey of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide?

The InChIKey is LSLBMCXKDUBWNX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-10(12)11(14)13(5-2)8-9-15-6-3/h10H,4-9,12H2,1-3H3/t10-/m0/s1.

What are the key properties of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide?

(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide is sourced from PubChem (CID 107569737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107569737 — identifiers, structure, computed properties (public domain)

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