tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C86H152N12O24 — CID 165108529

IUPACtert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C31H63NO12.C27H55NO12.2C14H17N5/c1-6-32(7-2)9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-29-28-42-26-24-40-22-20-38-18-16-36-14-12-34-10-8-30(33)44-31(3,4)5;1-3-28(4-2)6-8-32-10-12-34-14-16-36-18-20-38-22-24-40-26-25-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-27(29)30;2*1-2-3-4-11-18-12-9-7-8(15)5-6-10(9)17-14(16)13(12)19-11/h6-29H2,1-5H3;3-26H2,1-2H3,(H,29,30);2*5-7H,2-4,15H2,1H3,(H2,16,17)(H,18,19)
InChIKeyZOCISVPDFBFIAV-UHFFFAOYSA-N
MW1738.22 g/mol
LogP8.43
Rot. Bonds76

About tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 165108529) has the molecular formula C86H152N12O24 and a molecular weight of 1738.22 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID165108529
Molecular FormulaC86H152N12O24
Molecular Weight1738.22 g/mol
Exact Mass1737.10
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C31H63NO12.C27H55NO12.2C14H17N5/c1-6-32(7-2)9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-29-28-42-26-24-40-22-20-38-18-16-36-14-12-34-10-8-30(33)44-31(3,4)5;1-3-28(4-2)6-8-32-10-12-34-14-16-36-18-20-38-22-24-40-26-25-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-27(29)30;2*1-2-3-4-11-18-12-9-7-8(15)5-6-10(9)17-14(16)13(12)19-11/h6-29H2,1-5H3;3-26H2,1-2H3,(H,29,30);2*5-7H,2-4,15H2,1H3,(H2,16,17)(H,18,19)
InChIKeyZOCISVPDFBFIAV-UHFFFAOYSA-N
XLogP8.43
TPSA441.90 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds76
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.22
LogP ≤ 58.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 165108529) is tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N)cc12.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.CCN(CC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is ZOCISVPDFBFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO12.C27H55NO12.2C14H17N5/c1-6-32(7-2)9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-29-28-42-26-24-40-22-20-38-18-16-36-14-12-34-10-8-30(33)44-31(3,4)5;1-3-28(4-2)6-8-32-10-12-34-14-16-36-18-20-38-22-24-40-26-25-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-27(29)30;2*1-2-3-4-11-18-12-9-7-8(15)5-6-10(9)17-14(16)13(12)19-11/h6-29H2,1-5H3;3-26H2,1-2H3,(H,29,30);2*5-7H,2-4,15H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 1738.22 g/mol, XLogP of 8.43, 76 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;bis(2-butyl-3H-imidazo[4,5-c]quinoline-4,8-diamine);3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 165108529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).