2-ethoxy-3,3-dimethylbutanamide

C8H17NO2 — CID 134335453

IUPAC2-ethoxy-3,3-dimethylbutanamide
SMILESCCOC(C(N)=O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-11-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H2,9,10)
InChIKeyUANXEPDGMWMRHB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds3

About 2-ethoxy-3,3-dimethylbutanamide

2-ethoxy-3,3-dimethylbutanamide (PubChem CID 134335453) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethylbutanamide
PubChem CID134335453
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethoxy-3,3-dimethylbutanamide
SMILESCCOC(C(N)=O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-11-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H2,9,10)
InChIKeyUANXEPDGMWMRHB-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethylbutanamide?
The IUPAC name of 2-ethoxy-3,3-dimethylbutanamide (CID 134335453) is 2-ethoxy-3,3-dimethylbutanamide.
What is the SMILES notation for 2-ethoxy-3,3-dimethylbutanamide?
The canonical SMILES for 2-ethoxy-3,3-dimethylbutanamide is CCOC(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethylbutanamide?
The InChIKey is UANXEPDGMWMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-11-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H2,9,10).
What are the key properties of 2-ethoxy-3,3-dimethylbutanamide?
2-ethoxy-3,3-dimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethylbutanamide is sourced from PubChem (CID 134335453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).