2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide

C155H323N41O46 — CID 159933674

About 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide

2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide (PubChem CID 159933674) has the molecular formula C155H323N41O46 and a molecular weight of 3497.53 g/mol. Its IUPAC name is 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide
• PubChem CID: 159933674
• Molecular Formula: C155H323N41O46
• Molecular Weight: 3497.53 g/mol
• Exact Mass: 3495.42
• IUPAC Name: 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide
• SMILES: NCCOCCN(CCOCCN)CC(=O)CCCOCCN(CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)NCCOCCN(CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)NCCOCCN(CCOCCNC(=O)CN(CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)CO
• InChI: InChI=1S/C155H323N41O46/c156-9-69-217-99-35-182(36-100-218-70-10-157)125-141(198)5-1-65-213-95-45-187(57-117-235-87-31-178-150(207)134-191(49-107-225-77-17-164)50-108-226-78-18-165)130-146(203)174-27-91-239-121-61-195(62-122-240-92-28-175-147(204)131-188(46-96-214-66-2-6-142(199)126-183(37-101-219-71-11-158)38-102-220-72-12-159)58-118-236-88-32-179-151(208)135-192(51-109-227-79-19-166)52-110-228-80-20-167)138-154(211)172-25-85-233-115-43-186(129-145(202)140-197)44-116-234-86-26-173-155(212)139-196(63-123-241-93-29-176-148(205)132-189(47-97-215-67-3-7-143(200)127-184(39-103-221-73-13-160)40-104-222-74-14-161)59-119-237-89-33-180-152(209)136-193(53-111-229-81-21-168)54-112-230-82-22-169)64-124-242-94-30-177-149(206)133-190(48-98-216-68-4-8-144(201)128-185(41-105-223-75-15-162)42-106-224-76-16-163)60-120-238-90-34-181-153(210)137-194(55-113-231-83-23-170)56-114-232-84-24-171/h197H,1-140,156-171H2,(H,172,211)(H,173,212)(H,174,203)(H,175,204)(H,176,205)(H,177,206)(H,178,207)(H,179,208)(H,180,209)(H,181,210)
• InChIKey: NZYRQELBFCIFGP-UHFFFAOYSA-N
• XLogP: -19.53
• TPSA: 1138.40 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 77
• Rotatable Bonds: 199
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3497.53
LogP ≤ 5	-19.53
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	77

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-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide?

The IUPAC name of 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide (CID 159933674) is 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide is NCCOCCN(CCOCCN)CC(=O)CCCOCCN(CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)NCCOCCN(CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)NCCOCCN(CCOCCNC(=O)CN(CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN)CC(=O)CO.

What is the InChIKey of 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide?

The InChIKey is NZYRQELBFCIFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H323N41O46/c156-9-69-217-99-35-182(36-100-218-70-10-157)125-141(198)5-1-65-213-95-45-187(57-117-235-87-31-178-150(207)134-191(49-107-225-77-17-164)50-108-226-78-18-165)130-146(203)174-27-91-239-121-61-195(62-122-240-92-28-175-147(204)131-188(46-96-214-66-2-6-142(199)126-183(37-101-219-71-11-158)38-102-220-72-12-159)58-118-236-88-32-179-151(208)135-192(51-109-227-79-19-166)52-110-228-80-20-167)138-154(211)172-25-85-233-115-43-186(129-145(202)140-197)44-116-234-86-26-173-155(212)139-196(63-123-241-93-29-176-148(205)132-189(47-97-215-67-3-7-143(200)127-184(39-103-221-73-13-160)40-104-222-74-14-161)59-119-237-89-33-180-152(209)136-193(53-111-229-81-21-168)54-112-230-82-22-169)64-124-242-94-30-177-149(206)133-190(48-98-216-68-4-8-144(201)128-185(41-105-223-75-15-162)42-106-224-76-16-163)60-120-238-90-34-181-153(210)137-194(55-113-231-83-23-170)56-114-232-84-24-171/h197H,1-140,156-171H2,(H,172,211)(H,173,212)(H,174,203)(H,175,204)(H,176,205)(H,177,206)(H,178,207)(H,179,208)(H,180,209)(H,181,210).

What are the key properties of 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide?

2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide has a molecular weight of 3497.53 g/mol, XLogP of -19.53, 199 rotatable bonds, 27 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 159933674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).