5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one

C18H20N2O — CID 82172898

IUPAC5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(N)c2ccc(C)cc2)cc2c1NC(=O)C2
InChIInChI=1S/C18H20N2O/c1-3-12-8-14(9-15-10-16(21)20-18(12)15)17(19)13-6-4-11(2)5-7-13/h4-9,17H,3,10,19H2,1-2H3,(H,20,21)
InChIKeyZYTKOLCYCWUAAA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds3

About 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one

5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one (PubChem CID 82172898) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
PubChem CID82172898
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(N)c2ccc(C)cc2)cc2c1NC(=O)C2
InChIInChI=1S/C18H20N2O/c1-3-12-8-14(9-15-10-16(21)20-18(12)15)17(19)13-6-4-11(2)5-7-13/h4-9,17H,3,10,19H2,1-2H3,(H,20,21)
InChIKeyZYTKOLCYCWUAAA-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828
2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
CID 122655705
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one (CID 82172898) is 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one is CCc1cc(C(N)c2ccc(C)cc2)cc2c1NC(=O)C2.
What is the InChIKey of 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one?
The InChIKey is ZYTKOLCYCWUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-12-8-14(9-15-10-16(21)20-18(12)15)17(19)13-6-4-11(2)5-7-13/h4-9,17H,3,10,19H2,1-2H3,(H,20,21).
What are the key properties of 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one?
5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).