[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

C22H24N2O4 — CID 4271244

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-15-7-6-8-16(2)21(15)23-19(25)14-28-22(27)18-11-20(26)24(13-18)12-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,23,25)
InChIKeyIPVRIXOPXUXPOR-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.83
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 4271244) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID4271244
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-15-7-6-8-16(2)21(15)23-19(25)14-28-22(27)18-11-20(26)24(13-18)12-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,23,25)
InChIKeyIPVRIXOPXUXPOR-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 4271244) is [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is Cc1cccc(C)c1NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IPVRIXOPXUXPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-7-6-8-16(2)21(15)23-19(25)14-28-22(27)18-11-20(26)24(13-18)12-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 2.83, 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] 1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4271244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).