1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide

C34H48N2O8 — CID 140681077

About 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide

1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide (PubChem CID 140681077) has the molecular formula C34H48N2O8 and a molecular weight of 612.76 g/mol. Its IUPAC name is 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide
• PubChem CID: 140681077
• Molecular Formula: C34H48N2O8
• Molecular Weight: 612.76 g/mol
• Exact Mass: 612.34
• IUPAC Name: 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide
• SMILES: COCCOCCOCCOCCOCC(=O)NCC1(C(=O)NC(=O)Cc2ccc(CCCCc3ccccc3)cc2)CC1
• InChI: InChI=1S/C34H48N2O8/c1-40-17-18-41-19-20-42-21-22-43-23-24-44-26-32(38)35-27-34(15-16-34)33(39)36-31(37)25-30-13-11-29(12-14-30)10-6-5-9-28-7-3-2-4-8-28/h2-4,7-8,11-14H,5-6,9-10,15-27H2,1H3,(H,35,38)(H,36,37,39)
• InChIKey: QORQEVCSPOLGJX-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 121.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.76
LogP ≤ 5	3.05
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 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide (CID 140681077) is 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide is COCCOCCOCCOCCOCC(=O)NCC1(C(=O)NC(=O)Cc2ccc(CCCCc3ccccc3)cc2)CC1.

What is the InChIKey of 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide?

The InChIKey is QORQEVCSPOLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O8/c1-40-17-18-41-19-20-42-21-22-43-23-24-44-26-32(38)35-27-34(15-16-34)33(39)36-31(37)25-30-13-11-29(12-14-30)10-6-5-9-28-7-3-2-4-8-28/h2-4,7-8,11-14H,5-6,9-10,15-27H2,1H3,(H,35,38)(H,36,37,39).

What are the key properties of 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide?

1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide has a molecular weight of 612.76 g/mol, XLogP of 3.05, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 140681077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).