[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C21H22N2O5 — CID 2127028

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-14-5-10-18(27-2)17(12-14)22-19(24)13-28-21(26)15-6-8-16(9-7-15)23-11-3-4-20(23)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyQINYPQLTDKIRIX-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.93
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 2127028) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID2127028
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-14-5-10-18(27-2)17(12-14)22-19(24)13-28-21(26)15-6-8-16(9-7-15)23-11-3-4-20(23)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyQINYPQLTDKIRIX-UHFFFAOYSA-N
XLogP2.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888043
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581441
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 2127028) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is QINYPQLTDKIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-5-10-18(27-2)17(12-14)22-19(24)13-28-21(26)15-6-8-16(9-7-15)23-11-3-4-20(23)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 2127028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).