(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C20H21NO5 — CID 9134704

IUPAC(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(OC)c(COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C20H21NO5/c1-24-15-9-10-18(25-2)14(12-15)13-26-20(23)16-6-3-4-7-17(16)21-11-5-8-19(21)22/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3
InChIKeyIRKFSSUJWVIIGO-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds6

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

(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9134704) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9134704
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(OC)c(COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C20H21NO5/c1-24-15-9-10-18(25-2)14(12-15)13-26-20(23)16-6-3-4-7-17(16)21-11-5-8-19(21)22/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3
InChIKeyIRKFSSUJWVIIGO-UHFFFAOYSA-N
XLogP3.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133924
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133574
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132576
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808611
ethyl 5-amino-4-cyano-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate
CID 9132883

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9134704) is (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is COc1ccc(OC)c(COC(=O)c2ccccc2N2CCCC2=O)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is IRKFSSUJWVIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-15-9-10-18(25-2)14(12-15)13-26-20(23)16-6-3-4-7-17(16)21-11-5-8-19(21)22/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 355.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9134704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).