2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C23H34IN5O3 — CID 111322837

About 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111322837) has the molecular formula C23H34IN5O3 and a molecular weight of 555.46 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
• PubChem CID: 111322837
• Molecular Formula: C23H34IN5O3
• Molecular Weight: 555.46 g/mol
• Exact Mass: 555.17
• IUPAC Name: 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)NCc1ccco1)NCC(c1ccccc1OC)N1CCCC1.I
• InChI: InChI=1S/C23H33N5O3.HI/c1-3-24-23(27-17-22(29)25-15-18-9-8-14-31-18)26-16-20(28-12-6-7-13-28)19-10-4-5-11-21(19)30-2;/h4-5,8-11,14,20H,3,6-7,12-13,15-17H2,1-2H3,(H,25,29)(H2,24,26,27);1H
• InChIKey: UAYYOWUNZJRWEE-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 91.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.46
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111322837) is 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCc1ccco1)NCC(c1ccccc1OC)N1CCCC1.I.

What is the InChIKey of 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?

The InChIKey is UAYYOWUNZJRWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3.HI/c1-3-24-23(27-17-22(29)25-15-18-9-8-14-31-18)26-16-20(28-12-6-7-13-28)19-10-4-5-11-21(19)30-2;/h4-5,8-11,14,20H,3,6-7,12-13,15-17H2,1-2H3,(H,25,29)(H2,24,26,27);1H.

What are the key properties of 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?

2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 555.46 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111322837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).