N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H16N2O3 — CID 110687375

IUPACN-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19)
InChIKeyDSTDGHJVKCLCRZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.45
Rot. Bonds3

About N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687375) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110687375
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19)
InChIKeyDSTDGHJVKCLCRZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 110687375) is N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(=O)N2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DSTDGHJVKCLCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).