2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide

C₁₃H₁₉N₃O₃ — CID 61093485

About 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide

2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide (PubChem CID 61093485) has the molecular formula C₁₃H₁₉N₃O₃ and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide.

Molecular Properties

• Compound Name: 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
• PubChem CID: 61093485
• Molecular Formula: C₁₃H₁₉N₃O₃
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.14
• IUPAC Name: 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
• SMILES: CC(C)N(CC(N)=O)C(=O)COc1cccc(N)c1
• InChI: InChI=1S/C13H19N3O3/c1-9(2)16(7-12(15)17)13(18)8-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,14H2,1-2H3,(H2,15,17)
• InChIKey: ZTIKYSNXLLNUOV-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 98.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?

The IUPAC name of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide (CID 61093485) is 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide.

What is the SMILES notation for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?

The canonical SMILES for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C(=O)COc1cccc(N)c1.

What is the InChIKey of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?

The InChIKey is ZTIKYSNXLLNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)16(7-12(15)17)13(18)8-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,14H2,1-2H3,(H2,15,17).

What are the key properties of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?

2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 61093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61093485 — identifiers, structure, computed properties (public domain)

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