1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one

C24H24N2O2 — CID 164625686

IUPAC1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one
SMILESO=C1Cc2c(OCCNCc3ccccc3)cccc2N1Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24-16-21-22(26(24)18-20-10-5-2-6-11-20)12-7-13-23(21)28-15-14-25-17-19-8-3-1-4-9-19/h1-13,25H,14-18H2
InChIKeyFMHXVPVWIUUUBY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.94
Rot. Bonds8

About 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one

1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one (PubChem CID 164625686) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one
PubChem CID164625686
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one
SMILESO=C1Cc2c(OCCNCc3ccccc3)cccc2N1Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24-16-21-22(26(24)18-20-10-5-2-6-11-20)12-7-13-23(21)28-15-14-25-17-19-8-3-1-4-9-19/h1-13,25H,14-18H2
InChIKeyFMHXVPVWIUUUBY-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
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 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one?
The IUPAC name of 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one (CID 164625686) is 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one?
The canonical SMILES for 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one is O=C1Cc2c(OCCNCc3ccccc3)cccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one?
The InChIKey is FMHXVPVWIUUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24-16-21-22(26(24)18-20-10-5-2-6-11-20)12-7-13-23(21)28-15-14-25-17-19-8-3-1-4-9-19/h1-13,25H,14-18H2.
What are the key properties of 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one?
1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(benzylamino)ethoxy]-3H-indol-2-one is sourced from PubChem (CID 164625686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).