[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

C20H19NO5 — CID 8727594

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H19NO5/c1-25-17-9-7-14(8-10-17)18(22)13-26-20(24)15-4-2-5-16(12-15)21-11-3-6-19(21)23/h2,4-5,7-10,12H,3,6,11,13H2,1H3
InChIKeyZVVCTRLBXIUHLU-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.86
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8727594) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8727594
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H19NO5/c1-25-17-9-7-14(8-10-17)18(22)13-26-20(24)15-4-2-5-16(12-15)21-11-3-6-19(21)23/h2,4-5,7-10,12H,3,6,11,13H2,1H3
InChIKeyZVVCTRLBXIUHLU-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726499
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
CID 8738366
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382212
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728202
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (CID 8727594) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is COc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ZVVCTRLBXIUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-17-9-7-14(8-10-17)18(22)13-26-20(24)15-4-2-5-16(12-15)21-11-3-6-19(21)23/h2,4-5,7-10,12H,3,6,11,13H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 353.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8727594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).