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

C46H83N3O16 — CID 143655014

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-[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 (PubChem CID 143655014) has the molecular formula C46H83N3O16 and a molecular weight of 934.17 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.

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
• PubChem CID: 143655014
• Molecular Formula: C46H83N3O16
• Molecular Weight: 934.17 g/mol
• Exact Mass: 933.58
• 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
• SMILES: CCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COC(=O)CN(CC)CCN(CCN(CC)CC(=O)O)CC(=O)O)cc1OCCOCCOCCOC(C)(C)CC
• InChI: InChI=1S/C46H83N3O16/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/h32-33H,10-31,34-37H2,1-9H3,(H,50,51)(H,52,53)
• InChIKey: JWQYDUYCDCSRFJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 202.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 43
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.17
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'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?

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 (CID 143655014) 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.

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?

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 is CCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COC(=O)CN(CC)CCN(CCN(CC)CC(=O)O)CC(=O)O)cc1OCCOCCOCCOC(C)(C)CC.

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?

The InChIKey is JWQYDUYCDCSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H83N3O16/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/h32-33H,10-31,34-37H2,1-9H3,(H,50,51)(H,52,53).

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-[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 has a molecular weight of 934.17 g/mol, XLogP of 4.10, 43 rotatable bonds, 2 hydrogen bond donors, and 17 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 is sourced from PubChem (CID 143655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).