methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate

C25H21NO8 — CID 31120826

IUPACmethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1occc1C(=O)OC
InChIInChI=1S/C25H21NO8/c1-3-32-20-9-8-15(13-26-22(27)16-6-4-5-7-17(16)23(26)28)12-19(20)25(30)34-14-21-18(10-11-33-21)24(29)31-2/h4-12H,3,13-14H2,1-2H3
InChIKeyFVHPBFZDIGGTDC-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.62
Rot. Bonds8

About methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate

methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 31120826) has the molecular formula C25H21NO8 and a molecular weight of 463.44 g/mol. Its IUPAC name is methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate
PubChem CID31120826
Molecular FormulaC25H21NO8
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC Namemethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1occc1C(=O)OC
InChIInChI=1S/C25H21NO8/c1-3-32-20-9-8-15(13-26-22(27)16-6-4-5-7-17(16)23(26)28)12-19(20)25(30)34-14-21-18(10-11-33-21)24(29)31-2/h4-12H,3,13-14H2,1-2H3
InChIKeyFVHPBFZDIGGTDC-UHFFFAOYSA-N
XLogP3.62
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 16569725
[2-(2-methoxyphenyl)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 35874107
[2-(2-methylanilino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691629
[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691586
[2-[benzyl(methyl)amino]-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691627
2-ethoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 24518441
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
(1-anilino-1-oxopropan-2-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 42974938
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224613
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
CID 26253288
N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 7927858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate (CID 31120826) is methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1occc1C(=O)OC.
What is the InChIKey of methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is FVHPBFZDIGGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO8/c1-3-32-20-9-8-15(13-26-22(27)16-6-4-5-7-17(16)23(26)28)12-19(20)25(30)34-14-21-18(10-11-33-21)24(29)31-2/h4-12H,3,13-14H2,1-2H3.
What are the key properties of methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 463.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 31120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).