6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide

C17H22N2O3 — CID 17035026

IUPAC6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-13-6-8-14(9-7-13)18-15(20)5-3-2-4-12-19-16(21)10-11-17(19)22/h6-9H,2-5,10-12H2,1H3,(H,18,20)
InChIKeySOZCVHCZFIQQLE-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.64
Rot. Bonds7

About 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide

6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide (PubChem CID 17035026) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
PubChem CID17035026
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-13-6-8-14(9-7-13)18-15(20)5-3-2-4-12-19-16(21)10-11-17(19)22/h6-9H,2-5,10-12H2,1H3,(H,18,20)
InChIKeySOZCVHCZFIQQLE-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
6-[(5E)-5-[3-[6-(4-methylanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)hexanamide
CID 6387740
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
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
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-methylphenyl)-6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6203334
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 167745572

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide (CID 17035026) is 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide is Cc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide?
The InChIKey is SOZCVHCZFIQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-6-8-14(9-7-13)18-15(20)5-3-2-4-12-19-16(21)10-11-17(19)22/h6-9H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide?
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide has a molecular weight of 302.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide is sourced from PubChem (CID 17035026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).