3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide

C14H16N2O4 — CID 64793189

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O4/c17-9-10-1-3-11(4-2-10)15-12(18)7-8-16-13(19)5-6-14(16)20/h1-4,17H,5-9H2,(H,15,18)
InChIKeyKMCKFVKBEHEELW-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.66
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide (PubChem CID 64793189) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
PubChem CID64793189
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O4/c17-9-10-1-3-11(4-2-10)15-12(18)7-8-16-13(19)5-6-14(16)20/h1-4,17H,5-9H2,(H,15,18)
InChIKeyKMCKFVKBEHEELW-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 37193063
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
CID 119252572
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide (CID 64793189) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccc(CO)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is KMCKFVKBEHEELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-10-1-3-11(4-2-10)15-12(18)7-8-16-13(19)5-6-14(16)20/h1-4,17H,5-9H2,(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 276.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 64793189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).