(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate

C19H18N2O4 — CID 7404789

IUPAC(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17(20-15-5-2-1-3-6-15)13-25-19(24)14-8-10-16(11-9-14)21-12-4-7-18(21)23/h1-3,5-6,8-11H,4,7,12-13H2,(H,20,22)
InChIKeyKKUZPAFHLDDNCO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.61
Rot. Bonds5

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

(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7404789) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7404789
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17(20-15-5-2-1-3-6-15)13-25-19(24)14-8-10-16(11-9-14)21-12-4-7-18(21)23/h1-3,5-6,8-11H,4,7,12-13H2,(H,20,22)
InChIKeyKKUZPAFHLDDNCO-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7404789) is (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is KKUZPAFHLDDNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(20-15-5-2-1-3-6-15)13-25-19(24)14-8-10-16(11-9-14)21-12-4-7-18(21)23/h1-3,5-6,8-11H,4,7,12-13H2,(H,20,22).
What are the key properties of (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate?
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7404789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).