2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide

C13H16N2O3 — CID 71839200

IUPAC2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
SMILESCOCC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-18-9-12(16)14-11-7-8-15(13(11)17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16)
InChIKeyLUBRPHXUAXETOG-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.55
Rot. Bonds4

About 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide

2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide (PubChem CID 71839200) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
PubChem CID71839200
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
SMILESCOCC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-18-9-12(16)14-11-7-8-15(13(11)17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16)
InChIKeyLUBRPHXUAXETOG-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide (CID 71839200) is 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide is COCC(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide?
The InChIKey is LUBRPHXUAXETOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-9-12(16)14-11-7-8-15(13(11)17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16).
What are the key properties of 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide?
2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 71839200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).