N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide

C17H25N3O6 — CID 121462292

IUPACN-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H25N3O6/c1-13(21)5-6-17(25)20(26)11-4-2-3-10-18-14(22)9-12-19-15(23)7-8-16(19)24/h7-8,26H,2-6,9-12H2,1H3,(H,18,22)
InChIKeyZETKHXWKHNQDAI-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.17
Rot. Bonds12

About N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide

N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide (PubChem CID 121462292) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide.

Molecular Properties

Compound NameN-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide
PubChem CID121462292
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC NameN-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H25N3O6/c1-13(21)5-6-17(25)20(26)11-4-2-3-10-18-14(22)9-12-19-15(23)7-8-16(19)24/h7-8,26H,2-6,9-12H2,1H3,(H,18,22)
InChIKeyZETKHXWKHNQDAI-UHFFFAOYSA-N
XLogP0.17
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide?
The IUPAC name of N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide (CID 121462292) is N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide.
What is the SMILES notation for N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide?
The canonical SMILES for N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide is CC(=O)CCC(=O)N(O)CCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide?
The InChIKey is ZETKHXWKHNQDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-13(21)5-6-17(25)20(26)11-4-2-3-10-18-14(22)9-12-19-15(23)7-8-16(19)24/h7-8,26H,2-6,9-12H2,1H3,(H,18,22).
What are the key properties of N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide?
N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide has a molecular weight of 367.40 g/mol, XLogP of 0.17, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentyl]-N-hydroxy-4-oxopentanamide is sourced from PubChem (CID 121462292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).