(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

C20H19NO5 — CID 7204414

IUPAC(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19NO5/c1-2-25-17-6-4-3-5-15(17)13-26-20(24)14-7-9-16(10-8-14)21-18(22)11-12-19(21)23/h3-10H,2,11-13H2,1H3
InChIKeyGDQRSZFPJORNBR-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.10
Rot. Bonds6

About (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204414) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204414
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19NO5/c1-2-25-17-6-4-3-5-15(17)13-26-20(24)14-7-9-16(10-8-14)21-18(22)11-12-19(21)23/h3-10H,2,11-13H2,1H3
InChIKeyGDQRSZFPJORNBR-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
(5-acetyl-2-ethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204550
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
(3-methylphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204428
2-methylpropyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888168
(1,3-diphenylpyrazol-4-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55392353
(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204282
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
ethyl 4-(3,5-dioxothiomorpholin-4-yl)benzoate
CID 2732377
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204414) is (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is CCOc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is GDQRSZFPJORNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-25-17-6-4-3-5-15(17)13-26-20(24)14-7-9-16(10-8-14)21-18(22)11-12-19(21)23/h3-10H,2,11-13H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 353.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).