2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide

C23H34IN5O2 — CID 111685821

About 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide

2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide (PubChem CID 111685821) has the molecular formula C23H34IN5O2 and a molecular weight of 539.46 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
• PubChem CID: 111685821
• Molecular Formula: C23H34IN5O2
• Molecular Weight: 539.46 g/mol
• Exact Mass: 539.18
• IUPAC Name: 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCC(C)Oc1cccc(C)c1.I
• InChI: InChI=1S/C23H33N5O2.HI/c1-5-24-23(26-16-19(3)30-21-11-8-9-18(2)15-21)27-17-22(29)28(4)14-12-20-10-6-7-13-25-20;/h6-11,13,15,19H,5,12,14,16-17H2,1-4H3,(H2,24,26,27);1H
• InChIKey: ISNYUPROTSQBDM-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 78.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.46
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide (CID 111685821) is 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCC(C)Oc1cccc(C)c1.I.

What is the InChIKey of 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The InChIKey is ISNYUPROTSQBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.HI/c1-5-24-23(26-16-19(3)30-21-11-8-9-18(2)15-21)27-17-22(29)28(4)14-12-20-10-6-7-13-25-20;/h6-11,13,15,19H,5,12,14,16-17H2,1-4H3,(H2,24,26,27);1H.

What are the key properties of 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide has a molecular weight of 539.46 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide is sourced from PubChem (CID 111685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).