3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide

C₁₄H₂₁N₃O₃ — CID 61093294

About 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide

3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide (PubChem CID 61093294) has the molecular formula C₁₄H₂₁N₃O₃ and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
• PubChem CID: 61093294
• Molecular Formula: C₁₄H₂₁N₃O₃
• Molecular Weight: 279.34 g/mol
• Exact Mass: 279.16
• IUPAC Name: 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
• SMILES: CCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N
• InChI: InChI=1S/C14H21N3O3/c1-4-20-12-6-5-10(7-11(12)15)14(19)17(9(2)3)8-13(16)18/h5-7,9H,4,8,15H2,1-3H3,(H2,16,18)
• InChIKey: OLCRYNZJWOOJQQ-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 98.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	1.00
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 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?

The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide (CID 61093294) is 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide.

What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?

The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide is CCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N.

What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?

The InChIKey is OLCRYNZJWOOJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-6-5-10(7-11(12)15)14(19)17(9(2)3)8-13(16)18/h5-7,9H,4,8,15H2,1-3H3,(H2,16,18).

What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?

3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 61093294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61093294 — identifiers, structure, computed properties (public domain)

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