N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H20N2O3 — CID 2967046

IUPACN-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21)
InChIKeyQHVGYFWUTXUZNX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds4

About N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 2967046) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID2967046
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21)
InChIKeyQHVGYFWUTXUZNX-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 2967046) is N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QHVGYFWUTXUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2967046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).