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

C19H26N2O4 — CID 8920954

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)15-8-6-14(7-9-15)18(24)20-12-17(23)25-13-16(22)21-10-4-5-11-21/h6-9H,4-5,10-13H2,1-3H3,(H,20,24)
InChIKeyHUIXNQJLCBDCJI-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.88
Rot. Bonds5

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

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 8920954) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID8920954
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)15-8-6-14(7-9-15)18(24)20-12-17(23)25-13-16(22)21-10-4-5-11-21/h6-9H,4-5,10-13H2,1-3H3,(H,20,24)
InChIKeyHUIXNQJLCBDCJI-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.88
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-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate (CID 8920954) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is HUIXNQJLCBDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)15-8-6-14(7-9-15)18(24)20-12-17(23)25-13-16(22)21-10-4-5-11-21/h6-9H,4-5,10-13H2,1-3H3,(H,20,24).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 346.43 g/mol, XLogP of 1.88, 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-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 8920954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).