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

C15H22N2O2 — CID 63369687

IUPAC6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCCCCCOc1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C15H22N2O2/c1-3-4-5-6-9-19-11-7-8-12-13(10-11)17-15(18)14(12)16-2/h7-8,10,14,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLUIUQNOEGDPSNG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.86
Rot. Bonds7

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

6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 63369687) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID63369687
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCCCCCOc1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C15H22N2O2/c1-3-4-5-6-9-19-11-7-8-12-13(10-11)17-15(18)14(12)16-2/h7-8,10,14,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLUIUQNOEGDPSNG-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63685838
3-(methylamino)-6-(2-pyridin-2-ylethoxy)-1,3-dihydroindol-2-one
CID 63369636
6-[(2-fluorophenyl)methoxy]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63937563
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 114341297
6-[2-(dimethylamino)ethoxy]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 63369857
3-(ethylamino)-6-(2-propan-2-yloxyethoxy)-1,3-dihydroindol-2-one
CID 63370564
6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369681
6-(3,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 64745755
3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 63370367
6-(1-ethylpyrazol-4-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 116801695
1,3-dihexadecoxybenzene
CID 12686834
3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 63369717

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one (CID 63369687) is 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one is CCCCCCOc1ccc2c(c1)NC(=O)C2NC.
What is the InChIKey of 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is LUIUQNOEGDPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-5-6-9-19-11-7-8-12-13(10-11)17-15(18)14(12)16-2/h7-8,10,14,16H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one?
6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).