N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C23H31IN4O2 — CID 110983669

About N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110983669) has the molecular formula C23H31IN4O2 and a molecular weight of 522.43 g/mol. Its IUPAC name is N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• PubChem CID: 110983669
• Molecular Formula: C23H31IN4O2
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.15
• IUPAC Name: N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1cccc(OCCN2CCOCC2)c1)N1CCc2ccccc21.I
• InChI: InChI=1S/C23H30N4O2.HI/c1-24-23(27-10-9-20-6-2-3-8-22(20)27)25-18-19-5-4-7-21(17-19)29-16-13-26-11-14-28-15-12-26;/h2-8,17H,9-16,18H2,1H3,(H,24,25);1H
• InChIKey: XKUOADLZPPLPOI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 49.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
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 N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110983669) is N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccc(OCCN2CCOCC2)c1)N1CCc2ccccc21.I.

What is the InChIKey of N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The InChIKey is XKUOADLZPPLPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.HI/c1-24-23(27-10-9-20-6-2-3-8-22(20)27)25-18-19-5-4-7-21(17-19)29-16-13-26-11-14-28-15-12-26;/h2-8,17H,9-16,18H2,1H3,(H,24,25);1H.

What are the key properties of N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 522.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110983669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).