N-ethyl-N,2-dimethyl-3-oxobutanamide

C8H15NO2 — CID 18683063

IUPACN-ethyl-N,2-dimethyl-3-oxobutanamide
SMILESCCN(C)C(=O)C(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-9(4)8(11)6(2)7(3)10/h6H,5H2,1-4H3
InChIKeyGLAZLMWEIZNTQC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About N-ethyl-N,2-dimethyl-3-oxobutanamide

N-ethyl-N,2-dimethyl-3-oxobutanamide (PubChem CID 18683063) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-3-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-3-oxobutanamide
PubChem CID18683063
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-N,2-dimethyl-3-oxobutanamide
SMILESCCN(C)C(=O)C(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-9(4)8(11)6(2)7(3)10/h6H,5H2,1-4H3
InChIKeyGLAZLMWEIZNTQC-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
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

Acetoacetamide, N,N-diethyl-
CID 16699
N,N-Diethyl-3-methylbutanamide
CID 68290
N,N-Dibutyl-3-oxobutanamide
CID 243714
N-acetyl-N-(3-oxobutyl)acetamide
CID 13408782
N,N-Diethyl 2-fluoro-3-oxo-butyramide
CID 22465715
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335
Butanamide, N,N-diethyl-3-oxo-, hydrochloride
CID 3020440
3-Oxo-N,N-di(propan-2-yl)butanamide
CID 12318541
N,N-diethyl-2-methyl-3-oxobutanamide
CID 12431688
Methylbutanoyl 2-methylbutylamine
CID 21263621
Methylbutanoyl 3-methylbutylamine
CID 60738361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-3-oxobutanamide?
The IUPAC name of N-ethyl-N,2-dimethyl-3-oxobutanamide (CID 18683063) is N-ethyl-N,2-dimethyl-3-oxobutanamide.
What is the SMILES notation for N-ethyl-N,2-dimethyl-3-oxobutanamide?
The canonical SMILES for N-ethyl-N,2-dimethyl-3-oxobutanamide is CCN(C)C(=O)C(C)C(C)=O.
What is the InChIKey of N-ethyl-N,2-dimethyl-3-oxobutanamide?
The InChIKey is GLAZLMWEIZNTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-9(4)8(11)6(2)7(3)10/h6H,5H2,1-4H3.
What are the key properties of N-ethyl-N,2-dimethyl-3-oxobutanamide?
N-ethyl-N,2-dimethyl-3-oxobutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-3-oxobutanamide is sourced from PubChem (CID 18683063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).