8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide

C12H17N3O5 — CID 167640955

IUPAC8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide
SMILESO=C(CCCCCC(=O)NO)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-9(4-2-1-3-5-10(17)15-20)6-8-7-13-12(19)14-11(8)18/h7,20H,1-6H2,(H,15,17)(H2,13,14,18,19)
InChIKeyRAVYGWXQVLINGL-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.37
Rot. Bonds8

About 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide

8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide (PubChem CID 167640955) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide.

Molecular Properties

Compound Name8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide
PubChem CID167640955
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide
SMILESO=C(CCCCCC(=O)NO)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-9(4-2-1-3-5-10(17)15-20)6-8-7-13-12(19)14-11(8)18/h7,20H,1-6H2,(H,15,17)(H2,13,14,18,19)
InChIKeyRAVYGWXQVLINGL-UHFFFAOYSA-N
XLogP-0.37
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

9-(2,4-dioxo-1H-pyrimidin-5-yl)-8-oxononanoic acid
CID 159678656
N-hydroxy-31-sulfanylhentriacontanamide
CID 87684217
N-hydroxy-26-sulfanylhexacosanamide
CID 87681311
N-hydroxy-11-sulfanylundecanamide
CID 87682134
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921
30-(hydroxyamino)-30-oxotriacontanedithioic acid
CID 87685911
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595
5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione
CID 66606465
5-but-3-enyl-1H-pyrimidine-2,4-dione
CID 175908088
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide?
The IUPAC name of 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide (CID 167640955) is 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide.
What is the SMILES notation for 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide?
The canonical SMILES for 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide is O=C(CCCCCC(=O)NO)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide?
The InChIKey is RAVYGWXQVLINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9(4-2-1-3-5-10(17)15-20)6-8-7-13-12(19)14-11(8)18/h7,20H,1-6H2,(H,15,17)(H2,13,14,18,19).
What are the key properties of 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide?
8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide has a molecular weight of 283.28 g/mol, XLogP of -0.37, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dioxo-1H-pyrimidin-5-yl)-N-hydroxy-7-oxooctanamide is sourced from PubChem (CID 167640955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).