N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide

C12H21NO3 — CID 10966235

IUPACN,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide
SMILESCCN(CC)C(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-6-13(7-2)11(16)9(14)8-10(15)12(3,4)5/h6-8H2,1-5H3
InChIKeyBUIYTJNMNBBKDL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.43
Rot. Bonds5

About N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide

N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide (PubChem CID 10966235) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide.

Molecular Properties

Compound NameN,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide
PubChem CID10966235
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide
SMILESCCN(CC)C(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-6-13(7-2)11(16)9(14)8-10(15)12(3,4)5/h6-8H2,1-5H3
InChIKeyBUIYTJNMNBBKDL-UHFFFAOYSA-N
XLogP1.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.43
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'}

Analyze N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,5,5-tetramethyl-4-oxohexanamide
CID 102472535
N,N-Dibutyl-3-methyl-2,4-dioxohexanamide
CID 360660
4,4-Dimethyl-1-piperidin-1-ylpentane-1,2,3-trione
CID 134987969
Yzzqsansdxdbic-uhfffaoysa-
CID 12935842
N,N,5,5-tetramethyl-2,4-dioxohexanamide
CID 15702285
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,2,3,5-tetramethyl-4-oxo-N-(3-oxobutan-2-yl)hexanamide
CID 54413820
N-tert-butyl-N,5,5-trimethyl-2-oxohexanamide
CID 57920681
(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
CID 58165945
N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
CID 58165955
N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide
CID 58165957

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide?
The IUPAC name of N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide (CID 10966235) is N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide.
What is the SMILES notation for N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide?
The canonical SMILES for N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide is CCN(CC)C(=O)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide?
The InChIKey is BUIYTJNMNBBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-13(7-2)11(16)9(14)8-10(15)12(3,4)5/h6-8H2,1-5H3.
What are the key properties of N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide?
N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide has a molecular weight of 227.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5-dimethyl-2,4-dioxohexanamide is sourced from PubChem (CID 10966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).