N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide

C23H33N3O4 — CID 17035141

IUPACN-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H33N3O4/c1-18(27)24-19-11-13-20(14-12-19)25-21(28)10-8-6-4-2-3-5-7-9-17-26-22(29)15-16-23(26)30/h11-14H,2-10,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPMIOIUYPGUCXKJ-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.24
Rot. Bonds13

About N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide

N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide (PubChem CID 17035141) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
PubChem CID17035141
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H33N3O4/c1-18(27)24-19-11-13-20(14-12-19)25-21(28)10-8-6-4-2-3-5-7-9-17-26-22(29)15-16-23(26)30/h11-14H,2-10,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPMIOIUYPGUCXKJ-UHFFFAOYSA-N
XLogP4.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
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-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 144604040
N-(4-acetamidophenyl)hexanamide
CID 4953736
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 167745572
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-(2,5-dichlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035036

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide?
The IUPAC name of N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide (CID 17035141) is N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide?
The canonical SMILES for N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide is CC(=O)Nc1ccc(NC(=O)CCCCCCCCCCN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide?
The InChIKey is PMIOIUYPGUCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-18(27)24-19-11-13-20(14-12-19)25-21(28)10-8-6-4-2-3-5-7-9-17-26-22(29)15-16-23(26)30/h11-14H,2-10,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide?
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide has a molecular weight of 415.53 g/mol, XLogP of 4.24, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide is sourced from PubChem (CID 17035141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).