2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine

C₁₉H₃₃N₃O₂ — CID 111224081

About 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine

2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (PubChem CID 111224081) has the molecular formula C₁₉H₃₃N₃O₂ and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.

Molecular Properties

• Compound Name: 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
• PubChem CID: 111224081
• Molecular Formula: C₁₉H₃₃N₃O₂
• Molecular Weight: 335.49 g/mol
• Exact Mass: 335.26
• IUPAC Name: 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
• SMILES: CCN/C(=N\CCCOCC)NCCc1ccc(OC(C)C)cc1
• InChI: InChI=1S/C19H33N3O2/c1-5-20-19(21-13-7-15-23-6-2)22-14-12-17-8-10-18(11-9-17)24-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H2,20,21,22)
• InChIKey: LEOXGMBONZEZER-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 54.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.49
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?

The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (CID 111224081) is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.

What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?

The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is CCN/C(=N\CCCOCC)NCCc1ccc(OC(C)C)cc1.

What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?

The InChIKey is LEOXGMBONZEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-20-19(21-13-7-15-23-6-2)22-14-12-17-8-10-18(11-9-17)24-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H2,20,21,22).

What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?

2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine has a molecular weight of 335.49 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111224081 — identifiers, structure, computed properties (public domain)

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