bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate

C43H66N4O11 — CID 177308319

IUPACbis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate
SMILESCN(C)CCc1c[nH]c2cccc(COCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCc3cccc4[nH]cc(CCN(C)C)c34)c12
InChIInChI=1S/C43H66N4O11/c1-46(2)13-11-35-31-44-39-9-5-7-37(41(35)39)33-55-25-23-51-17-15-49-19-21-53-27-29-57-43(48)58-30-28-54-22-20-50-16-18-52-24-26-56-34-38-8-6-10-40-42(38)36(32-45-40)12-14-47(3)4/h5-10,31-32,44-45H,11-30,33-34H2,1-4H3
InChIKeyGNKINIGPNQHWOQ-UHFFFAOYSA-N
MW815.02 g/mol
LogP4.84
Rot. Bonds34

About bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate

bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate (PubChem CID 177308319) has the molecular formula C43H66N4O11 and a molecular weight of 815.02 g/mol. Its IUPAC name is bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate.

Molecular Properties

Compound Namebis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate
PubChem CID177308319
Molecular FormulaC43H66N4O11
Molecular Weight815.02 g/mol
Exact Mass814.47
IUPAC Namebis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate
SMILESCN(C)CCc1c[nH]c2cccc(COCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCc3cccc4[nH]cc(CCN(C)C)c34)c12
InChIInChI=1S/C43H66N4O11/c1-46(2)13-11-35-31-44-39-9-5-7-37(41(35)39)33-55-25-23-51-17-15-49-19-21-53-27-29-57-43(48)58-30-28-54-22-20-50-16-18-52-24-26-56-34-38-8-6-10-40-42(38)36(32-45-40)12-14-47(3)4/h5-10,31-32,44-45H,11-30,33-34H2,1-4H3
InChIKeyGNKINIGPNQHWOQ-UHFFFAOYSA-N
XLogP4.84
TPSA147.43 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.02
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
CID 167476975
2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate
CID 175425600
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-methoxyethoxymethylsulfanylformate
CID 168853125
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3-[3-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2,2-dimethyl-3-oxopropoxy]-2,2-dimethylpropanoate
CID 176651426
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl ethyl carbonate
CID 176589116
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
CID 158716765
4-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-oxoethoxy]butanoic acid
CID 176651472

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate?
The IUPAC name of bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate (CID 177308319) is bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate.
What is the SMILES notation for bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate?
The canonical SMILES for bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate is CN(C)CCc1c[nH]c2cccc(COCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCc3cccc4[nH]cc(CCN(C)C)c34)c12.
What is the InChIKey of bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate?
The InChIKey is GNKINIGPNQHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66N4O11/c1-46(2)13-11-35-31-44-39-9-5-7-37(41(35)39)33-55-25-23-51-17-15-49-19-21-53-27-29-57-43(48)58-30-28-54-22-20-50-16-18-52-24-26-56-34-38-8-6-10-40-42(38)36(32-45-40)12-14-47(3)4/h5-10,31-32,44-45H,11-30,33-34H2,1-4H3.
What are the key properties of bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate?
bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate has a molecular weight of 815.02 g/mol, XLogP of 4.84, 34 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate is sourced from PubChem (CID 177308319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).