N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide

C24H27N3O5 — CID 23830896

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H27N3O5/c1-16(28)25-17-10-12-18(13-11-17)26-21(29)14-20(23(26)31)27(24(2,3)4)22(30)15-32-19-8-6-5-7-9-19/h5-13,20H,14-15H2,1-4H3,(H,25,28)
InChIKeyFUYRSUXRAHOUFZ-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.98
Rot. Bonds6

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide (PubChem CID 23830896) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
PubChem CID23830896
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H27N3O5/c1-16(28)25-17-10-12-18(13-11-17)26-21(29)14-20(23(26)31)27(24(2,3)4)22(30)15-32-19-8-6-5-7-9-19/h5-13,20H,14-15H2,1-4H3,(H,25,28)
InChIKeyFUYRSUXRAHOUFZ-UHFFFAOYSA-N
XLogP2.98
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.98
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-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23743864
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 23887026
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxy-N-prop-2-enylacetamide
CID 23772955
ethyl 4-[3-[cyclopropyl-(2-phenoxyacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970977
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
CID 23743789
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)-2-phenoxyacetamide
CID 23743798
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
CID 7640062
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23861160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide (CID 23830896) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)(C)C)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide?
The InChIKey is FUYRSUXRAHOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-16(28)25-17-10-12-18(13-11-17)26-21(29)14-20(23(26)31)27(24(2,3)4)22(30)15-32-19-8-6-5-7-9-19/h5-13,20H,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide has a molecular weight of 437.50 g/mol, XLogP of 2.98, 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]-N-tert-butyl-2-phenoxyacetamide is sourced from PubChem (CID 23830896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).