3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C14H16N2O3 — CID 18072161

IUPAC3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-10(17)9-13(18)15-11-4-6-12(7-5-11)16-8-2-3-14(16)19/h4-7H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyANMXKUPHDOHODP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.73
Rot. Bonds4

About 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 18072161) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID18072161
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-10(17)9-13(18)15-11-4-6-12(7-5-11)16-8-2-3-14(16)19/h4-7H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyANMXKUPHDOHODP-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 18072161) is 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CC(=O)CC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is ANMXKUPHDOHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(17)9-13(18)15-11-4-6-12(7-5-11)16-8-2-3-14(16)19/h4-7H,2-3,8-9H2,1H3,(H,15,18).
What are the key properties of 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 260.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 18072161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).