methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

C21H23NO6 — CID 22115951

IUPACmethyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C21H23NO6/c1-25-17-8-9-19(26-2)18(11-17)22-12-14(10-20(22)23)13-28-16-6-4-15(5-7-16)21(24)27-3/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeySHKSGQABSICKMI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.92
Rot. Bonds7

About methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (PubChem CID 22115951) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
PubChem CID22115951
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Namemethyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C21H23NO6/c1-25-17-8-9-19(26-2)18(11-17)22-12-14(10-20(22)23)13-28-16-6-4-15(5-7-16)21(24)27-3/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeySHKSGQABSICKMI-UHFFFAOYSA-N
XLogP2.92
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
methyl 4-[[(3S)-1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 139643143
methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 11724977
methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 10407483
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methoxybenzoate
CID 168507351
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
(4-methoxycarbonylphenyl) (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8961297
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 19879283
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzoate
CID 168507337
1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
methyl 4-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9351557
methyl 3-(4-ethynyl-2-oxopyrrolidin-1-yl)-4-methoxybenzoate
CID 168500708

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (CID 22115951) is methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1.
What is the InChIKey of methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The InChIKey is SHKSGQABSICKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-25-17-8-9-19(26-2)18(11-17)22-12-14(10-20(22)23)13-28-16-6-4-15(5-7-16)21(24)27-3/h4-9,11,14H,10,12-13H2,1-3H3.
What are the key properties of methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate has a molecular weight of 385.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is sourced from PubChem (CID 22115951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).