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

C14H17N3O3 — CID 110687377

IUPACN-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H17N3O3/c1-9(18)15-10-3-5-11(6-4-10)16-14(20)12-7-8-13(19)17(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyZQGVUCTVYMYMKF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.20
Rot. Bonds3

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

N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687377) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110687377
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(=O)N2C)cc1
InChIInChI=1S/C14H17N3O3/c1-9(18)15-10-3-5-11(6-4-10)16-14(20)12-7-8-13(19)17(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyZQGVUCTVYMYMKF-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
N-(4-acetamidophenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110650578
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
(2S)-N-[4-ethyl-3-(prop-2-enoylamino)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 167969559
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(4-acetamidophenyl)-1-hydroxypiperidine-2-carboxamide
CID 110194301
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 110687377) is N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCC(=O)N2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZQGVUCTVYMYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(18)15-10-3-5-11(6-4-10)16-14(20)12-7-8-13(19)17(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).