2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

C21H22N2O4 — CID 71781811

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESCC(O)(CNC(=O)CN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-21(27,14-22-18(24)13-23-19(25)11-12-20(23)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,27H,11-14H2,1H3,(H,22,24)
InChIKeyAJIQRVMBQBULFQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.83
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (PubChem CID 71781811) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
PubChem CID71781811
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESCC(O)(CNC(=O)CN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-21(27,14-22-18(24)13-23-19(25)11-12-20(23)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,27H,11-14H2,1H3,(H,22,24)
InChIKeyAJIQRVMBQBULFQ-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (CID 71781811) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide is CC(O)(CNC(=O)CN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The InChIKey is AJIQRVMBQBULFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(27,14-22-18(24)13-23-19(25)11-12-20(23)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,27H,11-14H2,1H3,(H,22,24).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide is sourced from PubChem (CID 71781811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).