4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one

C21H26N2O2 — CID 23322053

IUPAC4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCc1ccc(O)cc1)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C21H26N2O2/c1-2-12-23(13-10-16-6-8-18(24)9-7-16)14-11-17-4-3-5-20-19(17)15-21(25)22-20/h3-9,24H,2,10-15H2,1H3,(H,22,25)
InChIKeyZKMFLJITEODAKO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.38
Rot. Bonds8

About 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one

4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 23322053) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
PubChem CID23322053
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCc1ccc(O)cc1)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C21H26N2O2/c1-2-12-23(13-10-16-6-8-18(24)9-7-16)14-11-17-4-3-5-20-19(17)15-21(25)22-20/h3-9,24H,2,10-15H2,1H3,(H,22,25)
InChIKeyZKMFLJITEODAKO-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one (CID 23322053) is 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one is CCCN(CCc1ccc(O)cc1)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZKMFLJITEODAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-12-23(13-10-16-6-8-18(24)9-7-16)14-11-17-4-3-5-20-19(17)15-21(25)22-20/h3-9,24H,2,10-15H2,1H3,(H,22,25).
What are the key properties of 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 23322053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).