N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C24H34IN3O4 — CID 109480867

About N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480867) has the molecular formula C24H34IN3O4 and a molecular weight of 555.46 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
• PubChem CID: 109480867
• Molecular Formula: C24H34IN3O4
• Molecular Weight: 555.46 g/mol
• Exact Mass: 555.16
• IUPAC Name: N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC(O)c1cc(OC)ccc1OC)N1CCOC(c2ccccc2C)C1.I
• InChI: InChI=1S/C24H33N3O4.HI/c1-5-25-24(26-15-21(28)20-14-18(29-3)10-11-22(20)30-4)27-12-13-31-23(16-27)19-9-7-6-8-17(19)2;/h6-11,14,21,23,28H,5,12-13,15-16H2,1-4H3,(H,25,26);1H
• InChIKey: FAKDXIXWHSXSDA-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 75.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.46
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
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'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109480867) is N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1cc(OC)ccc1OC)N1CCOC(c2ccccc2C)C1.I.

What is the InChIKey of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?

The InChIKey is FAKDXIXWHSXSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4.HI/c1-5-25-24(26-15-21(28)20-14-18(29-3)10-11-22(20)30-4)27-12-13-31-23(16-27)19-9-7-6-8-17(19)2;/h6-11,14,21,23,28H,5,12-13,15-16H2,1-4H3,(H,25,26);1H.

What are the key properties of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?

N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 555.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).