(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide

C11H21NO2 — CID 135079362

IUPAC(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide
SMILESCCN(CC)C(=O)[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-9H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyXEXMQBHAKFULCA-VIFPVBQESA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide

(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide (PubChem CID 135079362) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide
PubChem CID135079362
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide
SMILESCCN(CC)C(=O)[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-9H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyXEXMQBHAKFULCA-VIFPVBQESA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
1,5-Dimethyl-2,4-piperidinedione
CID 13983069
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335
N,N-diethyl-2-methyl-3-oxobutanamide
CID 12431688
N,N,4,4-Tetramethyl-3-oxopentanamide
CID 13154492
Dimethyl-2,4-piperidindion
CID 19756877
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
N,N-Bis(2-ethylhexyl)-3-oxobutanamide
CID 89617651
Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
CID 312042
N,N-diethyl-2-oxocyclopentane-1-carboxamide
CID 135145241
4,4-Dimethyl-1-piperidin-1-ylpentane-1,3-dione
CID 85853391

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide?
The IUPAC name of (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide (CID 135079362) is (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide?
The canonical SMILES for (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide is CCN(CC)C(=O)[C@@H](C)C(=O)C(C)C.
What is the InChIKey of (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide?
The InChIKey is XEXMQBHAKFULCA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-9H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide?
(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 135079362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).