[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate

C23H23ClN2O8 — CID 42969112

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1OC
InChIInChI=1S/C23H23ClN2O8/c1-31-17-8-6-15(24)11-16(17)25-20(27)12-33-18-7-5-14(10-19(18)32-2)23(30)34-13-22(29)26-9-3-4-21(26)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,25,27)
InChIKeyOGZXWEMRVZAIMS-UHFFFAOYSA-N
MW490.90 g/mol
LogP2.68
Rot. Bonds9

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate (PubChem CID 42969112) has the molecular formula C23H23ClN2O8 and a molecular weight of 490.90 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
PubChem CID42969112
Molecular FormulaC23H23ClN2O8
Molecular Weight490.90 g/mol
Exact Mass490.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1OC
InChIInChI=1S/C23H23ClN2O8/c1-31-17-8-6-15(24)11-16(17)25-20(27)12-33-18-7-5-14(10-19(18)32-2)23(30)34-13-22(29)26-9-3-4-21(26)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,25,27)
InChIKeyOGZXWEMRVZAIMS-UHFFFAOYSA-N
XLogP2.68
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3488440
[2-(4-acetylanilino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3279488
[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25442275
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308886
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888043
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 16508114
(5-methyl-1,2-oxazol-3-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 28572960
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988475
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557205
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 27564653
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate (CID 42969112) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate is COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1OC.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
The InChIKey is OGZXWEMRVZAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O8/c1-31-17-8-6-15(24)11-16(17)25-20(27)12-33-18-7-5-14(10-19(18)32-2)23(30)34-13-22(29)26-9-3-4-21(26)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,25,27).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate has a molecular weight of 490.90 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate is sourced from PubChem (CID 42969112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).