2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione

C26H22N2O3 — CID 53328839

IUPAC2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
SMILESCn1cc(CCN2C(=O)c3ccccc3C2=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C26H22N2O3/c1-27-16-19(14-15-28-25(29)20-10-5-6-11-21(20)26(28)30)24-22(27)12-7-13-23(24)31-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3
InChIKeyFRDJXJLWLGRYCU-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.60
Rot. Bonds6

About 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione

2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 53328839) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
PubChem CID53328839
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
SMILESCn1cc(CCN2C(=O)c3ccccc3C2=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C26H22N2O3/c1-27-16-19(14-15-28-25(29)20-10-5-6-11-21(20)26(28)30)24-22(27)12-7-13-23(24)31-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3
InChIKeyFRDJXJLWLGRYCU-UHFFFAOYSA-N
XLogP4.60
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione (CID 53328839) is 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione is Cn1cc(CCN2C(=O)c3ccccc3C2=O)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is FRDJXJLWLGRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-27-16-19(14-15-28-25(29)20-10-5-6-11-21(20)26(28)30)24-22(27)12-7-13-23(24)31-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 410.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 53328839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).