(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate

C21H22N2O4 — CID 2417351

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C21H22N2O4/c24-19(23-12-4-5-13-23)15-27-20(25)14-22-21(26)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26)
InChIKeyOVWCXNOPFIMSPR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.25
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 2417351) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID2417351
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C21H22N2O4/c24-19(23-12-4-5-13-23)15-27-20(25)14-22-21(26)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26)
InChIKeyOVWCXNOPFIMSPR-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 27905464
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 32970914
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653981
(2-oxo-2-piperidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654052
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
ethyl 4-[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9114290

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate (CID 2417351) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is OVWCXNOPFIMSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(23-12-4-5-13-23)15-27-20(25)14-22-21(26)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 366.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 2417351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).