[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C20H20N2O5 — CID 7404773

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-26-17-10-6-15(7-11-17)21-18(23)13-27-20(25)14-4-8-16(9-5-14)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyMSVATFFEJDRNTH-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.62
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7404773) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7404773
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-26-17-10-6-15(7-11-17)21-18(23)13-27-20(25)14-4-8-16(9-5-14)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyMSVATFFEJDRNTH-UHFFFAOYSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7404773) is [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is MSVATFFEJDRNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-17-10-6-15(7-11-17)21-18(23)13-27-20(25)14-4-8-16(9-5-14)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7404773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).