5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one

C14H20N2O2 — CID 115002941

IUPAC5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)CNC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C14H20N2O2/c1-4-9(2)8-15-13-11-7-10(18-3)5-6-12(11)16-14(13)17/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyXTLNANDQCZSYPS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds5

About 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one

5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one (PubChem CID 115002941) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
PubChem CID115002941
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)CNC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C14H20N2O2/c1-4-9(2)8-15-13-11-7-10(18-3)5-6-12(11)16-14(13)17/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyXTLNANDQCZSYPS-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 114999748
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 115002940
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 114991944
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823453
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
3-(3,5-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43824323
6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 63369902

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one (CID 115002941) is 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one is CCC(C)CNC1C(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The InChIKey is XTLNANDQCZSYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9(2)8-15-13-11-7-10(18-3)5-6-12(11)16-14(13)17/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115002941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).