2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C26H34N6O7 — CID 154688372

About 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 154688372) has the molecular formula C26H34N6O7 and a molecular weight of 542.59 g/mol. Its IUPAC name is 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• PubChem CID: 154688372
• Molecular Formula: C26H34N6O7
• Molecular Weight: 542.59 g/mol
• Exact Mass: 542.25
• IUPAC Name: 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• SMILES: COc1cc(N)cc(OC)c1OCC(=O)NCCCN.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C13H21N3O4.C13H13N3O3/c1-18-10-6-9(15)7-11(19-2)13(10)20-8-12(17)16-5-3-4-14;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h6-7H,3-5,8,14-15H2,1-2H3,(H,16,17);1-3,10H,4-6,14H2,(H,15,17,18)
• InChIKey: YBVSJXBJCGFCHQ-UHFFFAOYSA-N
• XLogP: 0.16
• TPSA: 201.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.59
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The IUPAC name of 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 154688372) is 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

What is the SMILES notation for 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The canonical SMILES for 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1cc(N)cc(OC)c1OCC(=O)NCCCN.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The InChIKey is YBVSJXBJCGFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4.C13H13N3O3/c1-18-10-6-9(15)7-11(19-2)13(10)20-8-12(17)16-5-3-4-14;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h6-7H,3-5,8,14-15H2,1-2H3,(H,16,17);1-3,10H,4-6,14H2,(H,15,17,18).

What are the key properties of 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 542.59 g/mol, XLogP of 0.16, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 154688372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).