N,N,5,5-tetramethyl-2,4-dioxohexanamide

C10H17NO3 — CID 15702285

IUPACN,N,5,5-tetramethyl-2,4-dioxohexanamide
SMILESCN(C)C(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(13)6-7(12)9(14)11(4)5/h6H2,1-5H3
InChIKeyRSUNLHXAHXGFAF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds3

About N,N,5,5-tetramethyl-2,4-dioxohexanamide

N,N,5,5-tetramethyl-2,4-dioxohexanamide (PubChem CID 15702285) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N,N,5,5-tetramethyl-2,4-dioxohexanamide.

Molecular Properties

Compound NameN,N,5,5-tetramethyl-2,4-dioxohexanamide
PubChem CID15702285
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN,N,5,5-tetramethyl-2,4-dioxohexanamide
SMILESCN(C)C(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(13)6-7(12)9(14)11(4)5/h6H2,1-5H3
InChIKeyRSUNLHXAHXGFAF-UHFFFAOYSA-N
XLogP0.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N,4,4-Tetramethyl-3-oxopentanamide
CID 13154492
N,N,5,5-tetramethyl-4-oxohexanamide
CID 102472535
N,N-Dibutyl-3-methyl-2,4-dioxohexanamide
CID 360660
N,N-diethylpivaloylpyruvamide
CID 10966235
N,N,1,2,2-pentamethyl-3-oxocyclobutane-1-carboxamide
CID 12714149
N,N,3,5,5-pentamethyl-4-oxohexanamide
CID 134973182
N,5,5-trimethyl-2,4-dioxohexanamide
CID 10932129
5,5-Dimethyl-1-(piperidin-1-yl)hexan-1,2,4-trione
CID 15702286
N,N-diethyl-5-methyl-2,4-dioxohexanamide
CID 19939950
N,N,5-trimethyl-4-oxohexanamide
CID 20600835
N-tert-butyl-N,5,5-trimethyl-2-oxohexanamide
CID 57920681
CID 58482578
CID 58482578

Frequently Asked Questions

What is the IUPAC name of N,N,5,5-tetramethyl-2,4-dioxohexanamide?
The IUPAC name of N,N,5,5-tetramethyl-2,4-dioxohexanamide (CID 15702285) is N,N,5,5-tetramethyl-2,4-dioxohexanamide.
What is the SMILES notation for N,N,5,5-tetramethyl-2,4-dioxohexanamide?
The canonical SMILES for N,N,5,5-tetramethyl-2,4-dioxohexanamide is CN(C)C(=O)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N,N,5,5-tetramethyl-2,4-dioxohexanamide?
The InChIKey is RSUNLHXAHXGFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)8(13)6-7(12)9(14)11(4)5/h6H2,1-5H3.
What are the key properties of N,N,5,5-tetramethyl-2,4-dioxohexanamide?
N,N,5,5-tetramethyl-2,4-dioxohexanamide has a molecular weight of 199.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,5-tetramethyl-2,4-dioxohexanamide is sourced from PubChem (CID 15702285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).