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

C22H23N3O5 — CID 7953022

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H23N3O5/c1-24(2)21(28)15-5-9-17(10-6-15)23-19(26)14-30-22(29)16-7-11-18(12-8-16)25-13-3-4-20(25)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyHAXQOQZTBOQNDG-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.31
Rot. Bonds6

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

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7953022) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7953022
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H23N3O5/c1-24(2)21(28)15-5-9-17(10-6-15)23-19(26)14-30-22(29)16-7-11-18(12-8-16)25-13-3-4-20(25)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyHAXQOQZTBOQNDG-UHFFFAOYSA-N
XLogP2.31
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 27717588
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate
CID 8625237
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
CID 8925181

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7953022) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is HAXQOQZTBOQNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-24(2)21(28)15-5-9-17(10-6-15)23-19(26)14-30-22(29)16-7-11-18(12-8-16)25-13-3-4-20(25)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 409.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7953022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).