ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide

C10H21NO2 — CID 143012125

IUPACethane;N-ethyl-2,2-dimethyl-4-oxobutanamide
SMILESCC.CCNC(=O)C(C)(C)CC=O
InChIInChI=1S/C8H15NO2.C2H6/c1-4-9-7(11)8(2,3)5-6-10;1-2/h6H,4-5H2,1-3H3,(H,9,11);1-2H3
InChIKeyWNIQGMHBFHVZIR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.76
Rot. Bonds4

About ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide

ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide (PubChem CID 143012125) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-dimethyl-4-oxobutanamide
PubChem CID143012125
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;N-ethyl-2,2-dimethyl-4-oxobutanamide
SMILESCC.CCNC(=O)C(C)(C)CC=O
InChIInChI=1S/C8H15NO2.C2H6/c1-4-9-7(11)8(2,3)5-6-10;1-2/h6H,4-5H2,1-3H3,(H,9,11);1-2H3
InChIKeyWNIQGMHBFHVZIR-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide (CID 143012125) is ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide is CC.CCNC(=O)C(C)(C)CC=O.
What is the InChIKey of ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide?
The InChIKey is WNIQGMHBFHVZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-4-9-7(11)8(2,3)5-6-10;1-2/h6H,4-5H2,1-3H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide?
ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 143012125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).