N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide

C14H19N3O6 — CID 87602445

IUPACN'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide
SMILESNC(=O)CCC(=O)N(O)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H19N3O6/c15-10(18)5-6-14(22)17(23)13(21)4-2-1-3-9-16-11(19)7-8-12(16)20/h7-8,23H,1-6,9H2,(H2,15,18)
InChIKeyRVSXRZFLZUXIIS-UHFFFAOYSA-N
MW325.32 g/mol
LogP-0.52
Rot. Bonds9

About N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide

N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide (PubChem CID 87602445) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide.

Molecular Properties

Compound NameN'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide
PubChem CID87602445
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC NameN'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide
SMILESNC(=O)CCC(=O)N(O)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H19N3O6/c15-10(18)5-6-14(22)17(23)13(21)4-2-1-3-9-16-11(19)7-8-12(16)20/h7-8,23H,1-6,9H2,(H2,15,18)
InChIKeyRVSXRZFLZUXIIS-UHFFFAOYSA-N
XLogP-0.52
TPSA138.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-Dioxopyrrol-1-yl)hexanamide
CID 14280310
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-ethylhexanamide
CID 18724283
4-(2,5-dioxopyrrol-1-yl)-N-hydroxybutanamide
CID 20274821
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
CID 20719177
[(4-Amino-4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 24763224
4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxyamino]-4-oxobutanoic acid
CID 88038807
6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 118448316
N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide
CID 121462292
6-(2,5-Dioxopyrrol-1-yl)hexanamide;methane
CID 142493329
6-(2,5-Dioxopyrrol-1-yl)hexanamide;ethane
CID 144749520
6-(2,5-Dioxopyrrol-1-yl)hexanamide;molecular hydrogen
CID 145561404
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
CID 153371736

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide?
The IUPAC name of N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide (CID 87602445) is N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide.
What is the SMILES notation for N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide?
The canonical SMILES for N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide is NC(=O)CCC(=O)N(O)C(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide?
The InChIKey is RVSXRZFLZUXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c15-10(18)5-6-14(22)17(23)13(21)4-2-1-3-9-16-11(19)7-8-12(16)20/h7-8,23H,1-6,9H2,(H2,15,18).
What are the key properties of N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide?
N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide has a molecular weight of 325.32 g/mol, XLogP of -0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 87602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).