(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate

C20H19NO6 — CID 8808611

IUPAC(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(OC)c(COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1
InChIInChI=1S/C20H19NO6/c1-25-16-6-7-17(26-2)14(11-16)12-27-20(24)13-4-3-5-15(10-13)21-18(22)8-9-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeySRBUXVAOUDYYIO-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.71
Rot. Bonds6

About (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate

(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 8808611) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID8808611
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(OC)c(COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1
InChIInChI=1S/C20H19NO6/c1-25-16-6-7-17(26-2)14(11-16)12-27-20(24)13-4-3-5-15(10-13)21-18(22)8-9-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeySRBUXVAOUDYYIO-UHFFFAOYSA-N
XLogP2.71
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-nitrophenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307194
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(5-acetyl-2-ethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204550
N-(2,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4863774
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
[2-(4-methoxyanilino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204695
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8951854
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204699
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 3-methoxybenzoate
CID 23936949
(3-bromophenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307116
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 8808611) is (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate is COc1ccc(OC)c(COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is SRBUXVAOUDYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-16-6-7-17(26-2)14(11-16)12-27-20(24)13-4-3-5-15(10-13)21-18(22)8-9-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 369.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8808611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).