6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one

C17H24N2O2 — CID 114341297

IUPAC6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCC(C)(C)CC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-17(2)8-6-11(7-9-17)21-12-4-5-13-14(10-12)19-16(20)15(13)18-3/h4-5,10-11,15,18H,6-9H2,1-3H3,(H,19,20)
InChIKeyOZCUZXWKRCHENN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.25
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one

6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 114341297) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID114341297
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCC(C)(C)CC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-17(2)8-6-11(7-9-17)21-12-4-5-13-14(10-12)19-16(20)15(13)18-3/h4-5,10-11,15,18H,6-9H2,1-3H3,(H,19,20)
InChIKeyOZCUZXWKRCHENN-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (CID 114341297) is 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OC3CCC(C)(C)CC3)ccc21.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is OZCUZXWKRCHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)8-6-11(7-9-17)21-12-4-5-13-14(10-12)19-16(20)15(13)18-3/h4-5,10-11,15,18H,6-9H2,1-3H3,(H,19,20).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114341297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).