[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C23H26N2O4 — CID 7491262

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-16(2)18-9-11-20(12-10-18)24-21(26)15-29-23(28)19-7-5-17(6-8-19)14-25-13-3-4-22(25)27/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyMMNCVFLBWYKNFF-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.73
Rot. Bonds7

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7491262) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7491262
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-16(2)18-9-11-20(12-10-18)24-21(26)15-29-23(28)19-7-5-17(6-8-19)14-25-13-3-4-22(25)27/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyMMNCVFLBWYKNFF-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7491262) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is CC(C)c1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is MMNCVFLBWYKNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(2)18-9-11-20(12-10-18)24-21(26)15-29-23(28)19-7-5-17(6-8-19)14-25-13-3-4-22(25)27/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7491262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).