3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one

C14H20N2O3 — CID 63685838

IUPAC3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
SMILESCCCOCCOc1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C14H20N2O3/c1-3-6-18-7-8-19-10-4-5-11-12(9-10)16-14(17)13(11)15-2/h4-5,9,13,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyDSVWOTARNSODFX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.70
Rot. Bonds7

About 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one

3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one (PubChem CID 63685838) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
PubChem CID63685838
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
SMILESCCCOCCOc1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C14H20N2O3/c1-3-6-18-7-8-19-10-4-5-11-12(9-10)16-14(17)13(11)15-2/h4-5,9,13,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyDSVWOTARNSODFX-UHFFFAOYSA-N
XLogP1.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one (CID 63685838) is 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one is CCCOCCOc1ccc2c(c1)NC(=O)C2NC.
What is the InChIKey of 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The InChIKey is DSVWOTARNSODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-6-18-7-8-19-10-4-5-11-12(9-10)16-14(17)13(11)15-2/h4-5,9,13,15H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63685838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).