3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one

C21H26N2O2 — CID 71463083

IUPAC3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCCN(CC)CCOc1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,19H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyOUVIXGVDAJWSJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.69
Rot. Bonds8

About 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one

3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 71463083) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one
PubChem CID71463083
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCCN(CC)CCOc1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,19H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyOUVIXGVDAJWSJY-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one (CID 71463083) is 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one is CCN(CC)CCOc1ccc(CC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is OUVIXGVDAJWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,19H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one?
3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 71463083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).