3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

C18H19NO2 — CID 43912357

IUPAC3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccccc1CC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C18H19NO2/c1-3-21-16-10-5-4-8-13(16)11-15-14-9-6-7-12(2)17(14)19-18(15)20/h4-10,15H,3,11H2,1-2H3,(H,19,20)
InChIKeyQDWJWZPADTUXRY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds4

About 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 43912357) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID43912357
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccccc1CC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C18H19NO2/c1-3-21-16-10-5-4-8-13(16)11-15-14-9-6-7-12(2)17(14)19-18(15)20/h4-10,15H,3,11H2,1-2H3,(H,19,20)
InChIKeyQDWJWZPADTUXRY-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 43912357) is 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is CCOc1ccccc1CC1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is QDWJWZPADTUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-21-16-10-5-4-8-13(16)11-15-14-9-6-7-12(2)17(14)19-18(15)20/h4-10,15H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).