3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one

C17H18N2O2 — CID 43739009

IUPAC3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCOc1c(C)ccc(NC2C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2/c1-10-8-9-13(11(2)16(10)21-3)18-15-12-6-4-5-7-14(12)19-17(15)20/h4-9,15,18H,1-3H3,(H,19,20)
InChIKeyJHTVXTPXPUGKBI-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.42
Rot. Bonds3

About 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one

3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one (PubChem CID 43739009) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
PubChem CID43739009
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCOc1c(C)ccc(NC2C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2/c1-10-8-9-13(11(2)16(10)21-3)18-15-12-6-4-5-7-14(12)19-17(15)20/h4-9,15,18H,1-3H3,(H,19,20)
InChIKeyJHTVXTPXPUGKBI-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one (CID 43739009) is 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one is COc1c(C)ccc(NC2C(=O)Nc3ccccc32)c1C.
What is the InChIKey of 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The InChIKey is JHTVXTPXPUGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-8-9-13(11(2)16(10)21-3)18-15-12-6-4-5-7-14(12)19-17(15)20/h4-9,15,18H,1-3H3,(H,19,20).
What are the key properties of 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one?
3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43739009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).