(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate

C₁₉H₂₀N₂O₄ — CID 43040537

About (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate

(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate (PubChem CID 43040537) has the molecular formula C₁₉H₂₀N₂O₄ and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate.

Molecular Properties

• Compound Name: (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
• PubChem CID: 43040537
• Molecular Formula: C₁₉H₂₀N₂O₄
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.14
• IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
• SMILES: CC(=O)NCCc1ccc(C(=O)OC(C(N)=O)c2ccccc2)cc1
• InChI: InChI=1S/C19H20N2O4/c1-13(22)21-12-11-14-7-9-16(10-8-14)19(24)25-17(18(20)23)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,20,23)(H,21,22)
• InChIKey: HUTUHHJCIJHBSE-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 98.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?

The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate (CID 43040537) is (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate.

What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?

The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate is CC(=O)NCCc1ccc(C(=O)OC(C(N)=O)c2ccccc2)cc1.

What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?

The InChIKey is HUTUHHJCIJHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)21-12-11-14-7-9-16(10-8-14)19(24)25-17(18(20)23)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,20,23)(H,21,22).

What are the key properties of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?

(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate has a molecular weight of 340.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate is sourced from PubChem (CID 43040537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43040537 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.