2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol

C17H24N2O5 — CID 178014980

IUPAC2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESCN(C)CCc1c[nH]c2cccc(OC3OCC(O)C(O)C3O)c12
InChIInChI=1S/C17H24N2O5/c1-19(2)7-6-10-8-18-11-4-3-5-13(14(10)11)24-17-16(22)15(21)12(20)9-23-17/h3-5,8,12,15-18,20-22H,6-7,9H2,1-2H3
InChIKeyYSAPXIPHHKEPAS-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.09
Rot. Bonds5

About 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol

2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 178014980) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID178014980
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESCN(C)CCc1c[nH]c2cccc(OC3OCC(O)C(O)C3O)c12
InChIInChI=1S/C17H24N2O5/c1-19(2)7-6-10-8-18-11-4-3-5-13(14(10)11)24-17-16(22)15(21)12(20)9-23-17/h3-5,8,12,15-18,20-22H,6-7,9H2,1-2H3
InChIKeyYSAPXIPHHKEPAS-UHFFFAOYSA-N
XLogP0.09
TPSA98.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 170387160
2-(hydroxymethyl)-6-[[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 170690559
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
CID 167476958
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] azetidine-3-carboxylate
CID 176589045
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
CID 176589010
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethylphosphonic acid
CID 156821130
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 169040368

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol (CID 178014980) is 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol is CN(C)CCc1c[nH]c2cccc(OC3OCC(O)C(O)C3O)c12.
What is the InChIKey of 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is YSAPXIPHHKEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-19(2)7-6-10-8-18-11-4-3-5-13(14(10)11)24-17-16(22)15(21)12(20)9-23-17/h3-5,8,12,15-18,20-22H,6-7,9H2,1-2H3.
What are the key properties of 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 336.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 178014980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).