5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one

C16H22N2O2 — CID 64730371

IUPAC5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
SMILESCC1CC(C)CC(Oc2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C16H22N2O2/c1-9-3-10(2)5-12(4-9)20-15-8-14-11(6-13(15)17)7-16(19)18-14/h6,8-10,12H,3-5,7,17H2,1-2H3,(H,18,19)
InChIKeyJGFJDWQJJWGKRY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.97
Rot. Bonds2

About 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one

5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one (PubChem CID 64730371) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
PubChem CID64730371
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
SMILESCC1CC(C)CC(Oc2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C16H22N2O2/c1-9-3-10(2)5-12(4-9)20-15-8-14-11(6-13(15)17)7-16(19)18-14/h6,8-10,12H,3-5,7,17H2,1-2H3,(H,18,19)
InChIKeyJGFJDWQJJWGKRY-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217
6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 64751941
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
CID 43451950
6-(3,5-dimethylcyclohexyl)oxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 64729566
5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
CID 43451902
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
CID 104706571

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one (CID 64730371) is 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one is CC1CC(C)CC(Oc2cc3c(cc2N)CC(=O)N3)C1.
What is the InChIKey of 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one?
The InChIKey is JGFJDWQJJWGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-3-10(2)5-12(4-9)20-15-8-14-11(6-13(15)17)7-16(19)18-14/h6,8-10,12H,3-5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one?
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 64730371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).