3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

C26H30N2O4 — CID 159098526

IUPAC3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30)
InChIKeySRSRDOHCSYCBOO-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.75
Rot. Bonds6

About 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (PubChem CID 159098526) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
PubChem CID159098526
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30)
InChIKeySRSRDOHCSYCBOO-UHFFFAOYSA-N
XLogP4.75
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (CID 159098526) is 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is CN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1.
What is the InChIKey of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The InChIKey is SRSRDOHCSYCBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30).
What are the key properties of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione has a molecular weight of 434.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 159098526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).