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

C22H34N2O6 — CID 169222544

IUPAC2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCN(CCC)CCc1c[nH]c2ccc(OC3OC(CO)C(O)C(O)C3O)cc12
InChIInChI=1S/C22H34N2O6/c1-3-8-24(9-4-2)10-7-14-12-23-17-6-5-15(11-16(14)17)29-22-21(28)20(27)19(26)18(13-25)30-22/h5-6,11-12,18-23,25-28H,3-4,7-10,13H2,1-2H3
InChIKeyFVXJDBBDKLETQI-UHFFFAOYSA-N
MW422.52 g/mol
LogP1.01
Rot. Bonds10

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

2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 169222544) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID169222544
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Name2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCN(CCC)CCc1c[nH]c2ccc(OC3OC(CO)C(O)C(O)C3O)cc12
InChIInChI=1S/C22H34N2O6/c1-3-8-24(9-4-2)10-7-14-12-23-17-6-5-15(11-16(14)17)29-22-21(28)20(27)19(26)18(13-25)30-22/h5-6,11-12,18-23,25-28H,3-4,7-10,13H2,1-2H3
InChIKeyFVXJDBBDKLETQI-UHFFFAOYSA-N
XLogP1.01
TPSA118.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222368
2-[[3-[2-[cyclopropyl(methyl)amino]ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222271
2-(hydroxymethyl)-6-[[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 170690559
(3R,6S)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
CID 139024245
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
CID 134819974
14-hydroxy-N-[2-[5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]hexadecanamide
CID 68801061
(14R)-14-hydroxy-N-[2-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]hexadecanamide
CID 162918284
16-hydroxy-N-[2-[5-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]heptadecanamide
CID 10417719
15-hydroxy-N-[2-[5-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]hexadecanamide
CID 68799117
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
CID 54355225
(2S,3S,4S,5R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51066631

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 169222544) is 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCCN(CCC)CCc1c[nH]c2ccc(OC3OC(CO)C(O)C(O)C3O)cc12.
What is the InChIKey of 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is FVXJDBBDKLETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O6/c1-3-8-24(9-4-2)10-7-14-12-23-17-6-5-15(11-16(14)17)29-22-21(28)20(27)19(26)18(13-25)30-22/h5-6,11-12,18-23,25-28H,3-4,7-10,13H2,1-2H3.
What are the key properties of 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 422.52 g/mol, XLogP of 1.01, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 169222544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).