N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide

C10H19NO3 — CID 89136777

IUPACN-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NO
InChIInChI=1S/C10H19NO3/c1-7(12)9(2,3)6-10(4,5)8(13)11-14/h14H,6H2,1-5H3,(H,11,13)
InChIKeyDBUZATZQHMUOHB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.52
Rot. Bonds4

About N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide

N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide (PubChem CID 89136777) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide.

Molecular Properties

Compound NameN-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
PubChem CID89136777
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NO
InChIInChI=1S/C10H19NO3/c1-7(12)9(2,3)6-10(4,5)8(13)11-14/h14H,6H2,1-5H3,(H,11,13)
InChIKeyDBUZATZQHMUOHB-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide?
The IUPAC name of N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide (CID 89136777) is N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide.
What is the SMILES notation for N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide?
The canonical SMILES for N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide is CC(=O)C(C)(C)CC(C)(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide?
The InChIKey is DBUZATZQHMUOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)9(2,3)6-10(4,5)8(13)11-14/h14H,6H2,1-5H3,(H,11,13).
What are the key properties of N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide?
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide has a molecular weight of 201.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide is sourced from PubChem (CID 89136777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).