1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C24H37IN4O4 — CID 110057611

About 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 110057611) has the molecular formula C24H37IN4O4 and a molecular weight of 572.49 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• PubChem CID: 110057611
• Molecular Formula: C24H37IN4O4
• Molecular Weight: 572.49 g/mol
• Exact Mass: 572.19
• IUPAC Name: 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• SMILES: CC(C)Oc1cccc(C(O)C/N=C(/NCCc2ccco2)NCCN2CCOCC2)c1.I
• InChI: InChI=1S/C24H36N4O4.HI/c1-19(2)32-22-6-3-5-20(17-22)23(29)18-27-24(25-9-8-21-7-4-14-31-21)26-10-11-28-12-15-30-16-13-28;/h3-7,14,17,19,23,29H,8-13,15-16,18H2,1-2H3,(H2,25,26,27);1H
• InChIKey: XTECJOHMDVFWCM-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 91.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.49
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 110057611) is 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CC(C)Oc1cccc(C(O)C/N=C(/NCCc2ccco2)NCCN2CCOCC2)c1.I.

What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The InChIKey is XTECJOHMDVFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4.HI/c1-19(2)32-22-6-3-5-20(17-22)23(29)18-27-24(25-9-8-21-7-4-14-31-21)26-10-11-28-12-15-30-16-13-28;/h3-7,14,17,19,23,29H,8-13,15-16,18H2,1-2H3,(H2,25,26,27);1H.

What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 572.49 g/mol, XLogP of 2.83, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110057611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).