5-amino-6-octoxy-1,3-dihydroindol-2-one

C16H24N2O2 — CID 43451940

IUPAC5-amino-6-octoxy-1,3-dihydroindol-2-one
SMILESCCCCCCCCOc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-2-3-4-5-6-7-8-20-15-11-14-12(9-13(15)17)10-16(19)18-14/h9,11H,2-8,10,17H2,1H3,(H,18,19)
InChIKeyGBUCETBMRJHJEA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds8

About 5-amino-6-octoxy-1,3-dihydroindol-2-one

5-amino-6-octoxy-1,3-dihydroindol-2-one (PubChem CID 43451940) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-6-octoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-octoxy-1,3-dihydroindol-2-one
PubChem CID43451940
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-6-octoxy-1,3-dihydroindol-2-one
SMILESCCCCCCCCOc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-2-3-4-5-6-7-8-20-15-11-14-12(9-13(15)17)10-16(19)18-14/h9,11H,2-8,10,17H2,1H3,(H,18,19)
InChIKeyGBUCETBMRJHJEA-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-octoxy-1,3-dihydroindol-2-one
CID 143867556
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
CID 64730371
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one
CID 43451985
5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
CID 43451902
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-octoxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-octoxy-1,3-dihydroindol-2-one (CID 43451940) is 5-amino-6-octoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-octoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-octoxy-1,3-dihydroindol-2-one is CCCCCCCCOc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-octoxy-1,3-dihydroindol-2-one?
The InChIKey is GBUCETBMRJHJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-5-6-7-8-20-15-11-14-12(9-13(15)17)10-16(19)18-14/h9,11H,2-8,10,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-6-octoxy-1,3-dihydroindol-2-one?
5-amino-6-octoxy-1,3-dihydroindol-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-octoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).