5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one

C14H20N2O2 — CID 115002940

IUPAC5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2ccc(OCCC)cc21
InChIInChI=1S/C14H20N2O2/c1-3-7-15-13-11-9-10(18-8-4-2)5-6-12(11)16-14(13)17/h5-6,9,13,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyGQHOXQMAQDGCNE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.47
Rot. Bonds6

About 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one

5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 115002940) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID115002940
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2ccc(OCCC)cc21
InChIInChI=1S/C14H20N2O2/c1-3-7-15-13-11-9-10(18-8-4-2)5-6-12(11)16-14(13)17/h5-6,9,13,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyGQHOXQMAQDGCNE-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one (CID 115002940) is 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2ccc(OCCC)cc21.
What is the InChIKey of 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is GQHOXQMAQDGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-15-13-11-9-10(18-8-4-2)5-6-12(11)16-14(13)17/h5-6,9,13,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one?
5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).