3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

C19H34IN5O2S — CID 111284436

About 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (PubChem CID 111284436) has the molecular formula C19H34IN5O2S and a molecular weight of 523.49 g/mol. Its IUPAC name is 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

• Compound Name: 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
• PubChem CID: 111284436
• Molecular Formula: C19H34IN5O2S
• Molecular Weight: 523.49 g/mol
• Exact Mass: 523.15
• IUPAC Name: 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
• SMILES: CCCNC(=O)CCN/C(=N/CC(c1cccs1)N1CCOCC1)NCC.I
• InChI: InChI=1S/C19H33N5O2S.HI/c1-3-8-21-18(25)7-9-22-19(20-4-2)23-15-16(17-6-5-14-27-17)24-10-12-26-13-11-24;/h5-6,14,16H,3-4,7-13,15H2,1-2H3,(H,21,25)(H2,20,22,23);1H
• InChIKey: ZDZQRVYCPPWBOQ-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 77.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	2.21
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 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?

The IUPAC name of 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (CID 111284436) is 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

What is the SMILES notation for 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?

The canonical SMILES for 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is CCCNC(=O)CCN/C(=N/CC(c1cccs1)N1CCOCC1)NCC.I.

What is the InChIKey of 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?

The InChIKey is ZDZQRVYCPPWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2S.HI/c1-3-8-21-18(25)7-9-22-19(20-4-2)23-15-16(17-6-5-14-27-17)24-10-12-26-13-11-24;/h5-6,14,16H,3-4,7-13,15H2,1-2H3,(H,21,25)(H2,20,22,23);1H.

What are the key properties of 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?

3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 523.49 g/mol, XLogP of 2.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 111284436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).