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

C24H28N2O5 — CID 19879283

IUPACmethyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(NC(=O)C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C24H28N2O5/c1-24(2,3)23(29)25-18-7-9-19(10-8-18)26-14-16(13-21(26)27)15-31-20-11-5-17(6-12-20)22(28)30-4/h5-12,16H,13-15H2,1-4H3,(H,25,29)
InChIKeyGWOYIJXYIXIYPO-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.89
Rot. Bonds6

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

methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate (PubChem CID 19879283) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
PubChem CID19879283
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(NC(=O)C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C24H28N2O5/c1-24(2,3)23(29)25-18-7-9-19(10-8-18)26-14-16(13-21(26)27)15-31-20-11-5-17(6-12-20)22(28)30-4/h5-12,16H,13-15H2,1-4H3,(H,25,29)
InChIKeyGWOYIJXYIXIYPO-UHFFFAOYSA-N
XLogP3.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 10407483
methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 11724977
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 4-[[(3S)-1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 139643143
methyl 4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670030
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 22115951
methyl 4-[2-[5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]ethoxy]benzoate
CID 67753718
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 43969881
methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
methyl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168666701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate (CID 19879283) is methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2CC(=O)N(c3ccc(NC(=O)C(C)(C)C)cc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The InChIKey is GWOYIJXYIXIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-24(2,3)23(29)25-18-7-9-19(10-8-18)26-14-16(13-21(26)27)15-31-20-11-5-17(6-12-20)22(28)30-4/h5-12,16H,13-15H2,1-4H3,(H,25,29).
What are the key properties of methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate?
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate has a molecular weight of 424.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate is sourced from PubChem (CID 19879283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).