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

C16H21N3O3 — CID 3156931

IUPACN-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyJUVBZELZOAPNJN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.84
Rot. Bonds4

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

N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3156931) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3156931
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyJUVBZELZOAPNJN-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 3156931) is N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JUVBZELZOAPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3156931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).