2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide

C108H212N6O50 — CID 70688452

IUPAC2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNc1nc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C108H212N6O50/c1-117-15-19-125-31-35-133-47-51-141-63-67-149-79-83-157-95-99-161-91-87-153-75-71-145-59-55-137-43-39-129-27-23-121-11-5-7-109-105-103(107(115)111-9-13-123-25-29-131-41-45-139-57-61-147-73-77-155-89-93-163-101-97-159-85-81-151-69-65-143-53-49-135-37-33-127-21-17-119-3)114-106(110-8-6-12-122-24-28-130-40-44-138-56-60-146-72-76-154-88-92-162-100-96-158-84-80-150-68-64-142-52-48-134-36-32-126-20-16-118-2)104(113-105)108(116)112-10-14-124-26-30-132-42-46-140-58-62-148-74-78-156-90-94-164-102-98-160-86-82-152-70-66-144-54-50-136-38-34-128-22-18-120-4/h5-102H2,1-4H3,(H,109,113)(H,110,114)(H,111,115)(H,112,116)
InChIKeyULBREMATEYABQF-UHFFFAOYSA-N
MW2394.88 g/mol
LogP0.86
Rot. Bonds150

About 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide

2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide (PubChem CID 70688452) has the molecular formula C108H212N6O50 and a molecular weight of 2394.88 g/mol. Its IUPAC name is 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide
PubChem CID70688452
Molecular FormulaC108H212N6O50
Molecular Weight2394.88 g/mol
Exact Mass2393.42
IUPAC Name2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNc1nc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C108H212N6O50/c1-117-15-19-125-31-35-133-47-51-141-63-67-149-79-83-157-95-99-161-91-87-153-75-71-145-59-55-137-43-39-129-27-23-121-11-5-7-109-105-103(107(115)111-9-13-123-25-29-131-41-45-139-57-61-147-73-77-155-89-93-163-101-97-159-85-81-151-69-65-143-53-49-135-37-33-127-21-17-119-3)114-106(110-8-6-12-122-24-28-130-40-44-138-56-60-146-72-76-154-88-92-162-100-96-158-84-80-150-68-64-142-52-48-134-36-32-126-20-16-118-2)104(113-105)108(116)112-10-14-124-26-30-132-42-46-140-58-62-148-74-78-156-90-94-164-102-98-160-86-82-152-70-66-144-54-50-136-38-34-128-22-18-120-4/h5-102H2,1-4H3,(H,109,113)(H,110,114)(H,111,115)(H,112,116)
InChIKeyULBREMATEYABQF-UHFFFAOYSA-N
XLogP0.86
TPSA551.08 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds150
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002394.88
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide (CID 70688452) is 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNc1nc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?
The InChIKey is ULBREMATEYABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H212N6O50/c1-117-15-19-125-31-35-133-47-51-141-63-67-149-79-83-157-95-99-161-91-87-153-75-71-145-59-55-137-43-39-129-27-23-121-11-5-7-109-105-103(107(115)111-9-13-123-25-29-131-41-45-139-57-61-147-73-77-155-89-93-163-101-97-159-85-81-151-69-65-143-53-49-135-37-33-127-21-17-119-3)114-106(110-8-6-12-122-24-28-130-40-44-138-56-60-146-72-76-154-88-92-162-100-96-158-84-80-150-68-64-142-52-48-134-36-32-126-20-16-118-2)104(113-105)108(116)112-10-14-124-26-30-132-42-46-140-58-62-148-74-78-156-90-94-164-102-98-160-86-82-152-70-66-144-54-50-136-38-34-128-22-18-120-4/h5-102H2,1-4H3,(H,109,113)(H,110,114)(H,111,115)(H,112,116).
What are the key properties of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?
2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide has a molecular weight of 2394.88 g/mol, XLogP of 0.86, 150 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70688452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).