1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

C26H28N2O2 — CID 13472298

IUPAC1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C26H28N2O2/c1-20(29)28-15-14-23-16-24(12-13-25(23)28)26(30)19-27(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-19H2,1H3
InChIKeyYAGAGBASFACYON-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.33
Rot. Bonds7

About 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 13472298) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID13472298
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C26H28N2O2/c1-20(29)28-15-14-23-16-24(12-13-25(23)28)26(30)19-27(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-19H2,1H3
InChIKeyYAGAGBASFACYON-UHFFFAOYSA-N
XLogP4.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (CID 13472298) is 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN(Cc3ccccc3)Cc3ccccc3)ccc21.
What is the InChIKey of 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YAGAGBASFACYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20(29)28-15-14-23-16-24(12-13-25(23)28)26(30)19-27(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-19H2,1H3.
What are the key properties of 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 400.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 13472298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).