N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide

C18H20N2O4 — CID 144604040

IUPACN-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESCC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C18H20N2O4/c1-13(21)14-6-8-15(9-7-14)19-16(22)5-3-2-4-12-20-17(23)10-11-18(20)24/h6-11H,2-5,12H2,1H3,(H,19,22)
InChIKeyQTMOPOBAYJBGPI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds8

About N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide

N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide (PubChem CID 144604040) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
PubChem CID144604040
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESCC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C18H20N2O4/c1-13(21)14-6-8-15(9-7-14)19-16(22)5-3-2-4-12-20-17(23)10-11-18(20)24/h6-11H,2-5,12H2,1H3,(H,19,22)
InChIKeyQTMOPOBAYJBGPI-UHFFFAOYSA-N
XLogP2.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-[(5E)-5-[3-[6-(4-acetylanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-acetylphenyl)hexanamide
CID 6201551
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]benzoic acid
CID 175899905
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
S-[2-[[6-(4-acetylanilino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 11660578
N-(4-acetylphenyl)-6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6204010
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
CID 25001613
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide (CID 144604040) is N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide is CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C=CC2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The InChIKey is QTMOPOBAYJBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(21)14-6-8-15(9-7-14)19-16(22)5-3-2-4-12-20-17(23)10-11-18(20)24/h6-11H,2-5,12H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide has a molecular weight of 328.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide is sourced from PubChem (CID 144604040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).