1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C14H17N3O3 — CID 168696117

IUPAC1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1C
InChIInChI=1S/C14H17N3O3/c1-8-5-11(3-4-12(8)16-9(2)18)17-7-10(14(15)20)6-13(17)19/h3-5,10H,6-7H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyKNKODSZHLPWLGK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.79
Rot. Bonds3

About 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696117) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696117
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1C
InChIInChI=1S/C14H17N3O3/c1-8-5-11(3-4-12(8)16-9(2)18)17-7-10(14(15)20)6-13(17)19/h3-5,10H,6-7H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyKNKODSZHLPWLGK-UHFFFAOYSA-N
XLogP0.79
TPSA92.50 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-methylbenzenesulfonic acid
CID 168696844
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
N-(4-acetamido-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46578612
(3R)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076167
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
[2-(2,4-dimethylanilino)-2-oxoethyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1410884

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696117) is 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1C.
What is the InChIKey of 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNKODSZHLPWLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-11(3-4-12(8)16-9(2)18)17-7-10(14(15)20)6-13(17)19/h3-5,10H,6-7H2,1-2H3,(H2,15,20)(H,16,18).
What are the key properties of 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).