(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C20H21NO4 — CID 30812015

IUPAC(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCOc1ccccc1COC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-6-3-2-5-17(18)14-25-20(23)16-10-8-15(9-11-16)13-21-12-4-7-19(21)22/h2-3,5-6,8-11H,4,7,12-14H2,1H3
InChIKeyXIVHIKWGWNBICS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.17
Rot. Bonds6

About (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 30812015) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID30812015
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCOc1ccccc1COC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-6-3-2-5-17(18)14-25-20(23)16-10-8-15(9-11-16)13-21-12-4-7-19(21)22/h2-3,5-6,8-11H,4,7,12-14H2,1H3
InChIKeyXIVHIKWGWNBICS-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888253
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888043
[2-oxo-2-(4-propylphenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380362
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
[2-oxo-2-(propylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888225
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111338776
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491309

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 30812015) is (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is COc1ccccc1COC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is XIVHIKWGWNBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-18-6-3-2-5-17(18)14-25-20(23)16-10-8-15(9-11-16)13-21-12-4-7-19(21)22/h2-3,5-6,8-11H,4,7,12-14H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 339.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 30812015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).