2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide

C₁₃H₂₀N₂O₃ — CID 113468548

About 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide

2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide (PubChem CID 113468548) has the molecular formula C₁₃H₂₀N₂O₃ and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
• PubChem CID: 113468548
• Molecular Formula: C₁₃H₂₀N₂O₃
• Molecular Weight: 252.31 g/mol
• Exact Mass: 252.15
• IUPAC Name: 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
• SMILES: CCN(CCCO)C(=O)c1cccc(OC)c1N
• InChI: InChI=1S/C13H20N2O3/c1-3-15(8-5-9-16)13(17)10-6-4-7-11(18-2)12(10)14/h4,6-7,16H,3,5,8-9,14H2,1-2H3
• InChIKey: RUQRGKHJXHELQO-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 75.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.31
LogP ≤ 5	1.12
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-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?

The IUPAC name of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide (CID 113468548) is 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide.

What is the SMILES notation for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?

The canonical SMILES for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide is CCN(CCCO)C(=O)c1cccc(OC)c1N.

What is the InChIKey of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?

The InChIKey is RUQRGKHJXHELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-15(8-5-9-16)13(17)10-6-4-7-11(18-2)12(10)14/h4,6-7,16H,3,5,8-9,14H2,1-2H3.

What are the key properties of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?

2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide is sourced from PubChem (CID 113468548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113468548 — identifiers, structure, computed properties (public domain)

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