N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide

C30H44N2O8 — CID 134582626

About N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide

N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide (PubChem CID 134582626) has the molecular formula C30H44N2O8 and a molecular weight of 560.69 g/mol. Its IUPAC name is N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
• PubChem CID: 134582626
• Molecular Formula: C30H44N2O8
• Molecular Weight: 560.69 g/mol
• Exact Mass: 560.31
• IUPAC Name: N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
• SMILES: CNC(=O)COCCOCCCOc1ccc(CCNC(=O)COCCCOCCOc2ccc(C)cc2)cc1
• InChI: InChI=1S/C30H44N2O8/c1-25-5-9-27(10-6-25)40-22-21-36-15-3-17-37-24-30(34)32-14-13-26-7-11-28(12-8-26)39-18-4-16-35-19-20-38-23-29(33)31-2/h5-12H,3-4,13-24H2,1-2H3,(H,31,33)(H,32,34)
• InChIKey: VIZGWXZPAMMZBU-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 113.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.69
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide?

The IUPAC name of N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide (CID 134582626) is N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide.

What is the SMILES notation for N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide?

The canonical SMILES for N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide is CNC(=O)COCCOCCCOc1ccc(CCNC(=O)COCCCOCCOc2ccc(C)cc2)cc1.

What is the InChIKey of N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide?

The InChIKey is VIZGWXZPAMMZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O8/c1-25-5-9-27(10-6-25)40-22-21-36-15-3-17-37-24-30(34)32-14-13-26-7-11-28(12-8-26)39-18-4-16-35-19-20-38-23-29(33)31-2/h5-12H,3-4,13-24H2,1-2H3,(H,31,33)(H,32,34).

What are the key properties of N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide?

N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide has a molecular weight of 560.69 g/mol, XLogP of 2.70, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide is sourced from PubChem (CID 134582626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).