2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H32N2O6 — CID 169222368

IUPAC2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCN(CC)CCc1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
InChIInChI=1S/C21H32N2O6/c1-3-8-23(4-2)9-7-13-11-22-16-10-14(5-6-15(13)16)28-21-20(27)19(26)18(25)17(12-24)29-21/h5-6,10-11,17-22,24-27H,3-4,7-9,12H2,1-2H3
InChIKeyOLXHITUOXBADLI-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.62
Rot. Bonds9

About 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 169222368) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID169222368
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Name2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCN(CC)CCc1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
InChIInChI=1S/C21H32N2O6/c1-3-8-23(4-2)9-7-13-11-22-16-10-14(5-6-15(13)16)28-21-20(27)19(26)18(25)17(12-24)29-21/h5-6,10-11,17-22,24-27H,3-4,7-9,12H2,1-2H3
InChIKeyOLXHITUOXBADLI-UHFFFAOYSA-N
XLogP0.62
TPSA118.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222544
2-[[3-[2-[cyclopropyl(methyl)amino]ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222271
2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol
CID 169222460
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076
2-(hydroxymethyl)-6-[[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 170690559
(2S,3R,4R,5R,6S)-2-[(6-fluoro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 26470888
(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
CID 54355225
(2S,4S,5S)-2-[(6-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154592078
(2R,3S,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126969255
(2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7567562
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 169222368) is 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCCN(CC)CCc1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.
What is the InChIKey of 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is OLXHITUOXBADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O6/c1-3-8-23(4-2)9-7-13-11-22-16-10-14(5-6-15(13)16)28-21-20(27)19(26)18(25)17(12-24)29-21/h5-6,10-11,17-22,24-27H,3-4,7-9,12H2,1-2H3.
What are the key properties of 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 408.50 g/mol, XLogP of 0.62, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 169222368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).