N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide

C19H34IN5O3 — CID 111385675

About N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide

N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide (PubChem CID 111385675) has the molecular formula C19H34IN5O3 and a molecular weight of 507.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide
• PubChem CID: 111385675
• Molecular Formula: C19H34IN5O3
• Molecular Weight: 507.42 g/mol
• Exact Mass: 507.17
• IUPAC Name: N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide
• SMILES: C/N=C(\NCC(=O)NC(C)(C)C)NCC(c1ccc(C)o1)N1CCOCC1.I
• InChI: InChI=1S/C19H33N5O3.HI/c1-14-6-7-16(27-14)15(24-8-10-26-11-9-24)12-21-18(20-5)22-13-17(25)23-19(2,3)4;/h6-7,15H,8-13H2,1-5H3,(H,23,25)(H2,20,21,22);1H
• InChIKey: ZWANMBNCXCIOIQ-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 91.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	1.66
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 N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide?

The IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide (CID 111385675) is N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide.

What is the SMILES notation for N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide?

The canonical SMILES for N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide is C/N=C(\NCC(=O)NC(C)(C)C)NCC(c1ccc(C)o1)N1CCOCC1.I.

What is the InChIKey of N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide?

The InChIKey is ZWANMBNCXCIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3.HI/c1-14-6-7-16(27-14)15(24-8-10-26-11-9-24)12-21-18(20-5)22-13-17(25)23-19(2,3)4;/h6-7,15H,8-13H2,1-5H3,(H,23,25)(H2,20,21,22);1H.

What are the key properties of N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide?

N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide has a molecular weight of 507.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide is sourced from PubChem (CID 111385675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).