3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one

C15H20N2O3 — CID 63369981

IUPAC3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21
InChIInChI=1S/C15H20N2O3/c1-2-16-14-12-4-3-11(9-13(12)17-15(14)18)20-10-5-7-19-8-6-10/h3-4,9-10,14,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyKOBNPJRTXRFNJC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds4

About 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one

3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one (PubChem CID 63369981) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
PubChem CID63369981
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21
InChIInChI=1S/C15H20N2O3/c1-2-16-14-12-4-3-11(9-13(12)17-15(14)18)20-10-5-7-19-8-6-10/h3-4,9-10,14,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyKOBNPJRTXRFNJC-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one (CID 63369981) is 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is KOBNPJRTXRFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16-14-12-4-3-11(9-13(12)17-15(14)18)20-10-5-7-19-8-6-10/h3-4,9-10,14,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).