2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide

C18H18N2O5 — CID 30864823

IUPAC2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(C(=O)N2CCCC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O5/c21-14-10-15(18(23)20-8-4-5-9-20)24-11-16(14)25-12-17(22)19-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,19,22)
InChIKeyONBUAWFRLMPSEI-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide

2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide (PubChem CID 30864823) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide
PubChem CID30864823
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(C(=O)N2CCCC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O5/c21-14-10-15(18(23)20-8-4-5-9-20)24-11-16(14)25-12-17(22)19-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,19,22)
InChIKeyONBUAWFRLMPSEI-UHFFFAOYSA-N
XLogP1.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide (CID 30864823) is 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide is O=C(COc1coc(C(=O)N2CCCC2)cc1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is ONBUAWFRLMPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-14-10-15(18(23)20-8-4-5-9-20)24-11-16(14)25-12-17(22)19-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,19,22).
What are the key properties of 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide?
2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 342.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-6-(pyrrolidine-1-carbonyl)pyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 30864823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).