2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid

C56H105N3O22 — CID 143655013

About 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid

2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid (PubChem CID 143655013) has the molecular formula C56H105N3O22 and a molecular weight of 1172.45 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid.

Molecular Properties

• Compound Name: 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid
• PubChem CID: 143655013
• Molecular Formula: C56H105N3O22
• Molecular Weight: 1172.45 g/mol
• Exact Mass: 1171.72
• IUPAC Name: 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid
• SMILES: CCOCCOC(C)(C)C.CCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COC(=O)CN(CC)CCN(CCN(CC)CC(=O)O)CC(=O)O)cc1OCCOCCOCCOC(C)(C)CC.O=CO.O=CO
• InChI: InChI=1S/C46H83N3O16.C8H18O2.2CH2O2/c1-10-46(8,9)65-31-26-59-21-19-57-24-28-61-40-33-38(32-39(44(40)62-29-22-55-13-4)60-27-23-56-18-20-58-25-30-64-45(5,6)7)37-63-43(54)36-48(12-3)15-17-49(35-42(52)53)16-14-47(11-2)34-41(50)51;1-5-9-6-7-10-8(2,3)4;2*2-1-3/h32-33H,10-31,34-37H2,1-9H3,(H,50,51)(H,52,53);5-7H2,1-4H3;2*1H,(H,2,3)
• InChIKey: NJFUGRFKQCWKJF-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 295.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 47
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1172.45
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid?

The IUPAC name of 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid (CID 143655013) is 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid.

What is the SMILES notation for 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid?

The canonical SMILES for 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid is CCOCCOC(C)(C)C.CCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COC(=O)CN(CC)CCN(CCN(CC)CC(=O)O)CC(=O)O)cc1OCCOCCOCCOC(C)(C)CC.O=CO.O=CO.

What is the InChIKey of 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid?

The InChIKey is NJFUGRFKQCWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H83N3O16.C8H18O2.2CH2O2/c1-10-46(8,9)65-31-26-59-21-19-57-24-28-61-40-33-38(32-39(44(40)62-29-22-55-13-4)60-27-23-56-18-20-58-25-30-64-45(5,6)7)37-63-43(54)36-48(12-3)15-17-49(35-42(52)53)16-14-47(11-2)34-41(50)51;1-5-9-6-7-10-8(2,3)4;2*2-1-3/h32-33H,10-31,34-37H2,1-9H3,(H,50,51)(H,52,53);5-7H2,1-4H3;2*1H,(H,2,3).

What are the key properties of 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid?

2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid has a molecular weight of 1172.45 g/mol, XLogP of 5.34, 47 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[carboxymethyl-[2-[[2-[[4-(2-ethoxyethoxy)-3-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]-2-oxoethyl]-ethylamino]ethyl]amino]ethyl-ethylamino]acetic acid;2-(2-ethoxyethoxy)-2-methylpropane;formic acid is sourced from PubChem (CID 143655013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).