2-ethoxy-N,2-dimethylbutanamide

C8H17NO2 — CID 91008458

IUPAC2-ethoxy-N,2-dimethylbutanamide
SMILESCCOC(C)(CC)C(=O)NC
InChIInChI=1S/C8H17NO2/c1-5-8(3,11-6-2)7(10)9-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyQIRAHGSTHLRDPX-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds4

About 2-ethoxy-N,2-dimethylbutanamide

2-ethoxy-N,2-dimethylbutanamide (PubChem CID 91008458) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethylbutanamide
PubChem CID91008458
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethoxy-N,2-dimethylbutanamide
SMILESCCOC(C)(CC)C(=O)NC
InChIInChI=1S/C8H17NO2/c1-5-8(3,11-6-2)7(10)9-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyQIRAHGSTHLRDPX-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethylbutanamide?
The IUPAC name of 2-ethoxy-N,2-dimethylbutanamide (CID 91008458) is 2-ethoxy-N,2-dimethylbutanamide.
What is the SMILES notation for 2-ethoxy-N,2-dimethylbutanamide?
The canonical SMILES for 2-ethoxy-N,2-dimethylbutanamide is CCOC(C)(CC)C(=O)NC.
What is the InChIKey of 2-ethoxy-N,2-dimethylbutanamide?
The InChIKey is QIRAHGSTHLRDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-8(3,11-6-2)7(10)9-4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of 2-ethoxy-N,2-dimethylbutanamide?
2-ethoxy-N,2-dimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 91008458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).