N,N-dimethyl-4-oxobutanamide;ethane

C8H17NO2 — CID 142238000

IUPACN,N-dimethyl-4-oxobutanamide;ethane
SMILESCC.CN(C)C(=O)CCC=O
InChIInChI=1S/C6H11NO2.C2H6/c1-7(2)6(9)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeySYUFOZPJXLMLKV-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds3

About N,N-dimethyl-4-oxobutanamide;ethane

N,N-dimethyl-4-oxobutanamide;ethane (PubChem CID 142238000) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N,N-dimethyl-4-oxobutanamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-4-oxobutanamide;ethane
PubChem CID142238000
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN,N-dimethyl-4-oxobutanamide;ethane
SMILESCC.CN(C)C(=O)CCC=O
InChIInChI=1S/C6H11NO2.C2H6/c1-7(2)6(9)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeySYUFOZPJXLMLKV-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxobutanamide;ethane?
The IUPAC name of N,N-dimethyl-4-oxobutanamide;ethane (CID 142238000) is N,N-dimethyl-4-oxobutanamide;ethane.
What is the SMILES notation for N,N-dimethyl-4-oxobutanamide;ethane?
The canonical SMILES for N,N-dimethyl-4-oxobutanamide;ethane is CC.CN(C)C(=O)CCC=O.
What is the InChIKey of N,N-dimethyl-4-oxobutanamide;ethane?
The InChIKey is SYUFOZPJXLMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-7(2)6(9)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-4-oxobutanamide;ethane?
N,N-dimethyl-4-oxobutanamide;ethane has a molecular weight of 159.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxobutanamide;ethane is sourced from PubChem (CID 142238000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).