3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one

C15H22N2O2 — CID 63370404

IUPAC3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC(C)CC(C)C)ccc21
InChIInChI=1S/C15H22N2O2/c1-9(2)7-10(3)19-11-5-6-12-13(8-11)17-15(18)14(12)16-4/h5-6,8-10,14,16H,7H2,1-4H3,(H,17,18)
InChIKeyYBWWSCGIUIHLHB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.71
Rot. Bonds5

About 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one

3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one (PubChem CID 63370404) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
PubChem CID63370404
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC(C)CC(C)C)ccc21
InChIInChI=1S/C15H22N2O2/c1-9(2)7-10(3)19-11-5-6-12-13(8-11)17-15(18)14(12)16-4/h5-6,8-10,14,16H,7H2,1-4H3,(H,17,18)
InChIKeyYBWWSCGIUIHLHB-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one (CID 63370404) is 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OC(C)CC(C)C)ccc21.
What is the InChIKey of 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is YBWWSCGIUIHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)7-10(3)19-11-5-6-12-13(8-11)17-15(18)14(12)16-4/h5-6,8-10,14,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one?
3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63370404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).