butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane

C42H92N2O15 — CID 156733980

About butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane

butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane (PubChem CID 156733980) has the molecular formula C42H92N2O15 and a molecular weight of 865.20 g/mol. Its IUPAC name is butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane.

Molecular Properties

• Compound Name: butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane
• PubChem CID: 156733980
• Molecular Formula: C42H92N2O15
• Molecular Weight: 865.20 g/mol
• Exact Mass: 864.65
• IUPAC Name: butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane
• SMILES: CC.CC.CC(C)(C)OCCOCCOCCOCCN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O.CCC.CCCC.NC=O
• InChI: InChI=1S/C30H59NO14.C4H10.C3H8.2C2H6.CH3NO/c1-30(2,3)45-27-26-44-25-24-43-23-18-40-13-8-31(6-11-38-16-21-41-19-14-36-9-4-28(32)33)7-12-39-17-22-42-20-15-37-10-5-29(34)35;1-3-4-2;1-3-2;2*1-2;2-1-3/h4-27H2,1-3H3,(H,32,33)(H,34,35);3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;1H,(H2,2,3)
• InChIKey: LVWLERFQMQTRBD-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 213.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 37
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.20
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane?

The IUPAC name of butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane (CID 156733980) is butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane.

What is the SMILES notation for butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane?

The canonical SMILES for butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane is CC.CC.CC(C)(C)OCCOCCOCCOCCN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O.CCC.CCCC.NC=O.

What is the InChIKey of butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane?

The InChIKey is LVWLERFQMQTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO14.C4H10.C3H8.2C2H6.CH3NO/c1-30(2,3)45-27-26-44-25-24-43-23-18-40-13-8-31(6-11-38-16-21-41-19-14-36-9-4-28(32)33)7-12-39-17-22-42-20-15-37-10-5-29(34)35;1-3-4-2;1-3-2;2*1-2;2-1-3/h4-27H2,1-3H3,(H,32,33)(H,34,35);3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;1H,(H2,2,3).

What are the key properties of butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane?

butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane has a molecular weight of 865.20 g/mol, XLogP of 5.58, 37 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for butane;3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid;ethane;formamide;propane is sourced from PubChem (CID 156733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).