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

C13H18N2O2 — CID 114991944

IUPAC5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2ccc(OCC)cc21
InChIInChI=1S/C13H18N2O2/c1-3-7-14-12-10-8-9(17-4-2)5-6-11(10)15-13(12)16/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySCHWXXSJRBRSAM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds5

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

5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 114991944) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID114991944
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2ccc(OCC)cc21
InChIInChI=1S/C13H18N2O2/c1-3-7-14-12-10-8-9(17-4-2)5-6-11(10)15-13(12)16/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySCHWXXSJRBRSAM-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one (CID 114991944) is 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2ccc(OCC)cc21.
What is the InChIKey of 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is SCHWXXSJRBRSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-7-14-12-10-8-9(17-4-2)5-6-11(10)15-13(12)16/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one?
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114991944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).