2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

C158H230F9N15O48 — CID 58275073

About 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 58275073) has the molecular formula C158H230F9N15O48 and a molecular weight of 3278.62 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 58275073
• Molecular Formula: C158H230F9N15O48
• Molecular Weight: 3278.62 g/mol
• Exact Mass: 3276.59
• IUPAC Name: 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
• SMILES: O=C(CN(CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)CN(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)CN(CC(=O)N(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F)NCCOCCOCCOCCOCc1ccccc1
• InChI: InChI=1S/C158H230F9N15O48/c159-156(160,161)128-155(129-157(162,163)164,130-158(165,166)167)131-230-127-154(197)182(117-152(195)180(113-148(191)176(105-140(183)168-41-49-198-57-65-206-73-81-214-89-97-222-119-132-25-9-1-10-26-132)106-141(184)169-42-50-199-58-66-207-74-82-215-90-98-223-120-133-27-11-2-12-28-133)114-149(192)177(107-142(185)170-43-51-200-59-67-208-75-83-216-91-99-224-121-134-29-13-3-14-30-134)108-143(186)171-44-52-201-60-68-209-76-84-217-92-100-225-122-135-31-15-4-16-32-135)118-153(196)181(115-150(193)178(109-144(187)172-45-53-202-61-69-210-77-85-218-93-101-226-123-136-33-17-5-18-34-136)110-145(188)173-46-54-203-62-70-211-78-86-219-94-102-227-124-137-35-19-6-20-36-137)116-151(194)179(111-146(189)174-47-55-204-63-71-212-79-87-220-95-103-228-125-138-37-21-7-22-38-138)112-147(190)175-48-56-205-64-72-213-80-88-221-96-104-229-126-139-39-23-8-24-40-139/h1-40H,41-131H2,(H,168,183)(H,169,184)(H,170,185)(H,171,186)(H,172,187)(H,173,188)(H,174,189)(H,175,190)
• InChIKey: VJHRJVGEBYNLEI-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 679.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 147
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3278.62
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (CID 58275073) is 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is O=C(CN(CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)CN(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)CN(CC(=O)N(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)C(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F)NCCOCCOCCOCCOCc1ccccc1.

What is the InChIKey of 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is VJHRJVGEBYNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C158H230F9N15O48/c159-156(160,161)128-155(129-157(162,163)164,130-158(165,166)167)131-230-127-154(197)182(117-152(195)180(113-148(191)176(105-140(183)168-41-49-198-57-65-206-73-81-214-89-97-222-119-132-25-9-1-10-26-132)106-141(184)169-42-50-199-58-66-207-74-82-215-90-98-223-120-133-27-11-2-12-28-133)114-149(192)177(107-142(185)170-43-51-200-59-67-208-75-83-216-91-99-224-121-134-29-13-3-14-30-134)108-143(186)171-44-52-201-60-68-209-76-84-217-92-100-225-122-135-31-15-4-16-32-135)118-153(196)181(115-150(193)178(109-144(187)172-45-53-202-61-69-210-77-85-218-93-101-226-123-136-33-17-5-18-34-136)110-145(188)173-46-54-203-62-70-211-78-86-219-94-102-227-124-137-35-19-6-20-36-137)116-151(194)179(111-146(189)174-47-55-204-63-71-212-79-87-220-95-103-228-125-138-37-21-7-22-38-138)112-147(190)175-48-56-205-64-72-213-80-88-221-96-104-229-126-139-39-23-8-24-40-139/h1-40H,41-131H2,(H,168,183)(H,169,184)(H,170,185)(H,171,186)(H,172,187)(H,173,188)(H,174,189)(H,175,190).

What are the key properties of 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?

2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 3278.62 g/mol, XLogP of 6.71, 147 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 58275073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).