N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H22N2O3 — CID 17466104

IUPACN-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)12-4-6-13(7-5-12)18-14(20)10-11-19-15(21)8-9-16(19)22/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyFQYFOCCSVWGCDW-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.46
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 17466104) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID17466104
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)12-4-6-13(7-5-12)18-14(20)10-11-19-15(21)8-9-16(19)22/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyFQYFOCCSVWGCDW-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 37193063
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 17466104) is N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(C)(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is FQYFOCCSVWGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)12-4-6-13(7-5-12)18-14(20)10-11-19-15(21)8-9-16(19)22/h4-7H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 17466104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).