methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

C23H27NO4 — CID 10407483

IUPACmethyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C23H27NO4/c1-23(2,3)18-7-9-19(10-8-18)24-14-16(13-21(24)25)15-28-20-11-5-17(6-12-20)22(26)27-4/h5-12,16H,13-15H2,1-4H3
InChIKeyJVTZOQMDKZFRBJ-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.20
Rot. Bonds5

About methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (PubChem CID 10407483) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
PubChem CID10407483
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namemethyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C23H27NO4/c1-23(2,3)18-7-9-19(10-8-18)24-14-16(13-21(24)25)15-28-20-11-5-17(6-12-20)22(26)27-4/h5-12,16H,13-15H2,1-4H3
InChIKeyJVTZOQMDKZFRBJ-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 11724977
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 19879283
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-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168666701
4-[[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
CID 10045310
4-[[1-[4-[(1-hydroxycyclohexyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
CID 22115984
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (CID 10407483) is methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The InChIKey is JVTZOQMDKZFRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-23(2,3)18-7-9-19(10-8-18)24-14-16(13-21(24)25)15-28-20-11-5-17(6-12-20)22(26)27-4/h5-12,16H,13-15H2,1-4H3.
What are the key properties of methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate has a molecular weight of 381.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is sourced from PubChem (CID 10407483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).