5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one

C16H23BrN2O2 — CID 79344214

IUPAC5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one
SMILESCCCCCCOc1cc2c(cc1Br)C(NCC)C(=O)N2
InChIInChI=1S/C16H23BrN2O2/c1-3-5-6-7-8-21-14-10-13-11(9-12(14)17)15(18-4-2)16(20)19-13/h9-10,15,18H,3-8H2,1-2H3,(H,19,20)
InChIKeySXGMYJMEPSEGIB-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.01
Rot. Bonds8

About 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one (PubChem CID 79344214) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one
PubChem CID79344214
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one
SMILESCCCCCCOc1cc2c(cc1Br)C(NCC)C(=O)N2
InChIInChI=1S/C16H23BrN2O2/c1-3-5-6-7-8-21-14-10-13-11(9-12(14)17)15(18-4-2)16(20)19-13/h9-10,15,18H,3-8H2,1-2H3,(H,19,20)
InChIKeySXGMYJMEPSEGIB-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.01
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

5-bromo-3-(ethylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 79342124
5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one
CID 79342580
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
CID 79343293
5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
CID 79342125
5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
CID 79349036
6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369687
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343077
5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344222
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one (CID 79344214) is 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one is CCCCCCOc1cc2c(cc1Br)C(NCC)C(=O)N2.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one?
The InChIKey is SXGMYJMEPSEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-5-6-7-8-21-14-10-13-11(9-12(14)17)15(18-4-2)16(20)19-13/h9-10,15,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one has a molecular weight of 355.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).