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

C11H23NO2 — CID 143012057

IUPACethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide
SMILESCC.CCN(C)C(=O)C(C)(C)CC=O
InChIInChI=1S/C9H17NO2.C2H6/c1-5-10(4)8(12)9(2,3)6-7-11;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyRWBHXKIOBUFKAS-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds4

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

ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide (PubChem CID 143012057) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide.

Molecular Properties

Compound Nameethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide
PubChem CID143012057
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide
SMILESCC.CCN(C)C(=O)C(C)(C)CC=O
InChIInChI=1S/C9H17NO2.C2H6/c1-5-10(4)8(12)9(2,3)6-7-11;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyRWBHXKIOBUFKAS-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-N,2,2-trimethyl-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-N,2,2-trimethyl-4-oxobutanamide?
The IUPAC name of ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide (CID 143012057) is ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide.
What is the SMILES notation for ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide?
The canonical SMILES for ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide is CC.CCN(C)C(=O)C(C)(C)CC=O.
What is the InChIKey of ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide?
The InChIKey is RWBHXKIOBUFKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-5-10(4)8(12)9(2,3)6-7-11;1-2/h7H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide?
ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide has a molecular weight of 201.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide is sourced from PubChem (CID 143012057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).