(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate

C17H22N2O4 — CID 2432496

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12-7-13(2)9-14(8-12)17(22)18-10-16(21)23-11-15(20)19-5-3-4-6-19/h7-9H,3-6,10-11H2,1-2H3,(H,18,22)
InChIKeyHQZLUGHETQHCAC-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.20
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2432496) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2432496
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12-7-13(2)9-14(8-12)17(22)18-10-16(21)23-11-15(20)19-5-3-4-6-19/h7-9H,3-6,10-11H2,1-2H3,(H,18,22)
InChIKeyHQZLUGHETQHCAC-UHFFFAOYSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2432496) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is HQZLUGHETQHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-7-13(2)9-14(8-12)17(22)18-10-16(21)23-11-15(20)19-5-3-4-6-19/h7-9H,3-6,10-11H2,1-2H3,(H,18,22).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 318.37 g/mol, XLogP of 1.20, 5 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-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2432496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).