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

C16H22N2O3 — CID 63370006

IUPAC6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21
InChIInChI=1S/C16H22N2O3/c1-2-7-17-15-13-4-3-12(10-14(13)18-16(15)19)21-11-5-8-20-9-6-11/h3-4,10-11,15,17H,2,5-9H2,1H3,(H,18,19)
InChIKeyRFWSWOWADUFYKJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.24
Rot. Bonds5

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

6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 63370006) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID63370006
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21
InChIInChI=1S/C16H22N2O3/c1-2-7-17-15-13-4-3-12(10-14(13)18-16(15)19)21-11-5-8-20-9-6-11/h3-4,10-11,15,17H,2,5-9H2,1H3,(H,18,19)
InChIKeyRFWSWOWADUFYKJ-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one (CID 63370006) is 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OC3CCOCC3)ccc21.
What is the InChIKey of 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is RFWSWOWADUFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-7-17-15-13-4-3-12(10-14(13)18-16(15)19)21-11-5-8-20-9-6-11/h3-4,10-11,15,17H,2,5-9H2,1H3,(H,18,19).
What are the key properties of 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one?
6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63370006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).