[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C22H23NO6 — CID 7888253

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)c1
InChIInChI=1S/C22H23NO6/c1-27-17-9-10-18(20(12-17)28-2)19(24)14-29-22(26)16-7-5-15(6-8-16)13-23-11-3-4-21(23)25/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyPNPOYZBSNAATQQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.87
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7888253) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7888253
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)c1
InChIInChI=1S/C22H23NO6/c1-27-17-9-10-18(20(12-17)28-2)19(24)14-29-22(26)16-7-5-15(6-8-16)13-23-11-3-4-21(23)25/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyPNPOYZBSNAATQQ-UHFFFAOYSA-N
XLogP2.87
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380362
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888043
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833977
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
[2-oxo-2-(propylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888225
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888336

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7888253) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is COc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is PNPOYZBSNAATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-27-17-9-10-18(20(12-17)28-2)19(24)14-29-22(26)16-7-5-15(6-8-16)13-23-11-3-4-21(23)25/h5-10,12H,3-4,11,13-14H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 397.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7888253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).