[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate

C21H22N2O5 — CID 46611878

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
SMILESCN(C)C(=O)COc1ccccc1C(=O)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-22(2)20(25)14-27-18-7-4-3-6-17(18)21(26)28-16-11-9-15(10-12-16)23-13-5-8-19(23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyXVCRCOKEHZPEBJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds6

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate (PubChem CID 46611878) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
PubChem CID46611878
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
SMILESCN(C)C(=O)COc1ccccc1C(=O)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-22(2)20(25)14-27-18-7-4-3-6-17(18)21(26)28-16-11-9-15(10-12-16)23-13-5-8-19(23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyXVCRCOKEHZPEBJ-UHFFFAOYSA-N
XLogP2.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(2-phenylphenyl)methyl]acetamide
CID 60618275
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
ethyl 2-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyloxybenzoate
CID 18096728
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]benzamide
CID 27696328
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]-N-phenylbenzamide
CID 17419102
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
CID 75405912
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
CID 35545788

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate (CID 46611878) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate is CN(C)C(=O)COc1ccccc1C(=O)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate?
The InChIKey is XVCRCOKEHZPEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-22(2)20(25)14-27-18-7-4-3-6-17(18)21(26)28-16-11-9-15(10-12-16)23-13-5-8-19(23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 46611878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).