4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid

C151H181NO39 — CID 154599769

About 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid

4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid (PubChem CID 154599769) has the molecular formula C151H181NO39 and a molecular weight of 2634.08 g/mol. Its IUPAC name is 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid
• PubChem CID: 154599769
• Molecular Formula: C151H181NO39
• Molecular Weight: 2634.08 g/mol
• Exact Mass: 2632.22
• IUPAC Name: 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid
• SMILES: O=C(O)CCC(=O)OCCOC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COCCN(CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)COc1ccccc1
• InChI: InChI=1S/C151H181NO39/c153-81-86-161-138(96-168-123-52-22-4-23-53-123)99-183-144(105-174-129-64-34-10-35-65-129)114-189-147(108-177-132-70-40-13-41-71-132)117-186-141(102-171-126-58-28-7-29-59-126)111-180-135(93-165-120-46-16-1-17-47-120)90-158-83-78-152(79-84-159-91-136(94-166-121-48-18-2-19-49-121)181-112-142(103-172-127-60-30-8-31-61-127)187-118-148(109-178-133-72-42-14-43-73-133)190-115-145(106-175-130-66-36-11-37-67-130)184-100-139(162-87-82-154)97-169-124-54-24-5-25-55-124)80-85-160-92-137(95-167-122-50-20-3-21-51-122)182-113-143(104-173-128-62-32-9-33-63-128)188-119-149(110-179-134-74-44-15-45-75-134)191-116-146(107-176-131-68-38-12-39-69-131)185-101-140(98-170-125-56-26-6-27-57-125)163-88-89-164-151(157)77-76-150(155)156/h1-75,135-149,153-154H,76-119H2,(H,155,156)
• InChIKey: LYPGIPUBZRAPOO-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 411.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 109
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2634.08
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid?

The IUPAC name of 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid (CID 154599769) is 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid.

What is the SMILES notation for 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid?

The canonical SMILES for 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid is O=C(O)CCC(=O)OCCOC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COCCN(CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)COc1ccccc1.

What is the InChIKey of 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid?

The InChIKey is LYPGIPUBZRAPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C151H181NO39/c153-81-86-161-138(96-168-123-52-22-4-23-53-123)99-183-144(105-174-129-64-34-10-35-65-129)114-189-147(108-177-132-70-40-13-41-71-132)117-186-141(102-171-126-58-28-7-29-59-126)111-180-135(93-165-120-46-16-1-17-47-120)90-158-83-78-152(79-84-159-91-136(94-166-121-48-18-2-19-49-121)181-112-142(103-172-127-60-30-8-31-61-127)187-118-148(109-178-133-72-42-14-43-73-133)190-115-145(106-175-130-66-36-11-37-67-130)184-100-139(162-87-82-154)97-169-124-54-24-5-25-55-124)80-85-160-92-137(95-167-122-50-20-3-21-51-122)182-113-143(104-173-128-62-32-9-33-63-128)188-119-149(110-179-134-74-44-15-45-75-134)191-116-146(107-176-131-68-38-12-39-69-131)185-101-140(98-170-125-56-26-6-27-57-125)163-88-89-164-151(157)77-76-150(155)156/h1-75,135-149,153-154H,76-119H2,(H,155,156).

What are the key properties of 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid?

4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid has a molecular weight of 2634.08 g/mol, XLogP of 20.69, 109 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 154599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).