4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one

C20H24N2O2 — CID 10520031

IUPAC4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2OCCNCCCCc2ccccc2)N1
InChIInChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
InChIKeyPTTJRNUQRLBAEV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.17
Rot. Bonds9

About 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one

4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10520031) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10520031
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2OCCNCCCCc2ccccc2)N1
InChIInChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
InChIKeyPTTJRNUQRLBAEV-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10520031) is 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(cccc2OCCNCCCCc2ccccc2)N1.
What is the InChIKey of 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is PTTJRNUQRLBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23).
What are the key properties of 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one?
4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylbutylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10520031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).