3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one

C17H18N2O2 — CID 43191389

IUPAC3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccc(NC2C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-13-7-5-12(6-8-13)18-16-14-10-11(2)4-9-15(14)19-17(16)20/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeyIHIHERQUYVRSBO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds4

About 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one

3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43191389) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43191389
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccc(NC2C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-13-7-5-12(6-8-13)18-16-14-10-11(2)4-9-15(14)19-17(16)20/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeyIHIHERQUYVRSBO-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43191389) is 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one is CCOc1ccc(NC2C(=O)Nc3ccc(C)cc32)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is IHIHERQUYVRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-13-7-5-12(6-8-13)18-16-14-10-11(2)4-9-15(14)19-17(16)20/h4-10,16,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43191389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).