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

C11H19NO3 — CID 19939950

IUPACN,N-diethyl-5-methyl-2,4-dioxohexanamide
SMILESCCN(CC)C(=O)C(=O)CC(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-12(6-2)11(15)10(14)7-9(13)8(3)4/h8H,5-7H2,1-4H3
InChIKeyFKLJHJMGEHIKTN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.04
Rot. Bonds6

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

N,N-diethyl-5-methyl-2,4-dioxohexanamide (PubChem CID 19939950) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2,4-dioxohexanamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2,4-dioxohexanamide
PubChem CID19939950
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN,N-diethyl-5-methyl-2,4-dioxohexanamide
SMILESCCN(CC)C(=O)C(=O)CC(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-12(6-2)11(15)10(14)7-9(13)8(3)4/h8H,5-7H2,1-4H3
InChIKeyFKLJHJMGEHIKTN-UHFFFAOYSA-N
XLogP1.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.04
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

1-Methyl-5-(1-methylethyl)-2,4-pyrrolidinedione
CID 13197666
N,N-diethyl-2-(2-oxocyclopentyl)acetamide
CID 45098891
N,N-Dibutyl-3-methyl-2,4-dioxohexanamide
CID 360660
N,N-diethyl-2-oxocyclopentane-1-carboxamide
CID 135145241
N,N-diethylpivaloylpyruvamide
CID 10966235
N,N-Diethyl-3-methyl-2-oxononanamide
CID 71405261
3,5,5-Dimethyl-1-(4-methylpiperazine-1-yl)hexane-1,2,4-trione
CID 129859830
(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide
CID 135079362
1-Butyl-3-propylpyrrolidine-2,4-dione
CID 139219079
1,3-Dibutylpyrrolidine-2,4-dione
CID 139219080
2-methyl-N,N-bis(2-methylpropyl)-3-oxopentanamide
CID 265169
N,N-diethyl-2-oxohexanamide
CID 12462195

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2,4-dioxohexanamide?
The IUPAC name of N,N-diethyl-5-methyl-2,4-dioxohexanamide (CID 19939950) is N,N-diethyl-5-methyl-2,4-dioxohexanamide.
What is the SMILES notation for N,N-diethyl-5-methyl-2,4-dioxohexanamide?
The canonical SMILES for N,N-diethyl-5-methyl-2,4-dioxohexanamide is CCN(CC)C(=O)C(=O)CC(=O)C(C)C.
What is the InChIKey of N,N-diethyl-5-methyl-2,4-dioxohexanamide?
The InChIKey is FKLJHJMGEHIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-12(6-2)11(15)10(14)7-9(13)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-5-methyl-2,4-dioxohexanamide?
N,N-diethyl-5-methyl-2,4-dioxohexanamide has a molecular weight of 213.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2,4-dioxohexanamide is sourced from PubChem (CID 19939950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).