N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

C25H27N3O5 — CID 23916588

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CC3CCCO3)C(=O)c3ccccc3C)C2=O)cc1
InChIInChI=1S/C25H27N3O5/c1-16-6-3-4-8-21(16)24(31)27(15-20-7-5-13-33-20)22-14-23(30)28(25(22)32)19-11-9-18(10-12-19)26-17(2)29/h3-4,6,8-12,20,22H,5,7,13-15H2,1-2H3,(H,26,29)
InChIKeyKTIJFYMERSFRLL-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.91
Rot. Bonds6

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 23916588) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID23916588
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CC3CCCO3)C(=O)c3ccccc3C)C2=O)cc1
InChIInChI=1S/C25H27N3O5/c1-16-6-3-4-8-21(16)24(31)27(15-20-7-5-13-33-20)22-14-23(30)28(25(22)32)19-11-9-18(10-12-19)26-17(2)29/h3-4,6,8-12,20,22H,5,7,13-15H2,1-2H3,(H,26,29)
InChIKeyKTIJFYMERSFRLL-UHFFFAOYSA-N
XLogP2.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 23802087
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 23745254
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 23803578
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23888503
[4-[2,5-dioxo-3-[oxolan-2-ylmethyl-(2-phenylacetyl)amino]pyrrolidin-1-yl]phenyl] acetate
CID 23971005
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23860686
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)cyclohexanecarboxamide
CID 23971077
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 23943123
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 23970910
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23916590

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 23916588) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is CC(=O)Nc1ccc(N2C(=O)CC(N(CC3CCCO3)C(=O)c3ccccc3C)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KTIJFYMERSFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-16-6-3-4-8-21(16)24(31)27(15-20-7-5-13-33-20)22-14-23(30)28(25(22)32)19-11-9-18(10-12-19)26-17(2)29/h3-4,6,8-12,20,22H,5,7,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 449.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 23916588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).