4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide

C25H24N2O5 — CID 67468641

IUPAC4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)cc1
InChIInChI=1S/C25H24N2O5/c1-26-24(28)16-6-4-15(5-7-16)14-32-22-19(10-11-21(30-2)23(22)31-3)17-8-9-20-18(12-17)13-27-25(20)29/h4-12H,13-14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyGBWBPMCECKSVIU-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.55
Rot. Bonds7

About 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide

4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide (PubChem CID 67468641) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide
PubChem CID67468641
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)cc1
InChIInChI=1S/C25H24N2O5/c1-26-24(28)16-6-4-15(5-7-16)14-32-22-19(10-11-21(30-2)23(22)31-3)17-8-9-20-18(12-17)13-27-25(20)29/h4-12H,13-14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyGBWBPMCECKSVIU-UHFFFAOYSA-N
XLogP3.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide (CID 67468641) is 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide is CNC(=O)c1ccc(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)cc1.
What is the InChIKey of 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide?
The InChIKey is GBWBPMCECKSVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-26-24(28)16-6-4-15(5-7-16)14-32-22-19(10-11-21(30-2)23(22)31-3)17-8-9-20-18(12-17)13-27-25(20)29/h4-12H,13-14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide?
4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide is sourced from PubChem (CID 67468641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).