[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C22H24N2O4 — CID 7491265

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-5-3-6-16(2)21(15)23-19(25)14-28-22(27)18-10-8-17(9-11-18)13-24-12-4-7-20(24)26/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,23,25)
InChIKeyQQFNJJRNFKWLKS-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.22
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7491265) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7491265
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-5-3-6-16(2)21(15)23-19(25)14-28-22(27)18-10-8-17(9-11-18)13-24-12-4-7-20(24)26/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,23,25)
InChIKeyQQFNJJRNFKWLKS-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7491265) is [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is QQFNJJRNFKWLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-5-3-6-16(2)21(15)23-19(25)14-28-22(27)18-10-8-17(9-11-18)13-24-12-4-7-20(24)26/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).