(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H15NO6 — CID 4529583

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCN3C(=O)c4ccccc4C3=O)coc2c1
InChIInChI=1S/C20H15NO6/c1-25-13-6-7-14-12(10-26-17(14)9-13)8-18(22)27-11-21-19(23)15-4-2-3-5-16(15)20(21)24/h2-7,9-10H,8,11H2,1H3
InChIKeyHYXKYYWXETUCCD-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.78
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 4529583) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID4529583
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCN3C(=O)c4ccccc4C3=O)coc2c1
InChIInChI=1S/C20H15NO6/c1-25-13-6-7-14-12(10-26-17(14)9-13)8-18(22)27-11-21-19(23)15-4-2-3-5-16(15)20(21)24/h2-7,9-10H,8,11H2,1H3
InChIKeyHYXKYYWXETUCCD-UHFFFAOYSA-N
XLogP2.78
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
(7-methoxy-2-oxochromen-4-yl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 3911944
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 4529583) is (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCN3C(=O)c4ccccc4C3=O)coc2c1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is HYXKYYWXETUCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO6/c1-25-13-6-7-14-12(10-26-17(14)9-13)8-18(22)27-11-21-19(23)15-4-2-3-5-16(15)20(21)24/h2-7,9-10H,8,11H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 365.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 4529583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).