4-methoxy-N,N,2-trimethylbutanamide

C8H17NO2 — CID 14463400

IUPAC4-methoxy-N,N,2-trimethylbutanamide
SMILESCOCCC(C)C(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-7(5-6-11-4)8(10)9(2)3/h7H,5-6H2,1-4H3
InChIKeyRAWSCGBLDQMIIA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.75
Rot. Bonds4

About 4-methoxy-N,N,2-trimethylbutanamide

4-methoxy-N,N,2-trimethylbutanamide (PubChem CID 14463400) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methoxy-N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name4-methoxy-N,N,2-trimethylbutanamide
PubChem CID14463400
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-methoxy-N,N,2-trimethylbutanamide
SMILESCOCCC(C)C(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-7(5-6-11-4)8(10)9(2)3/h7H,5-6H2,1-4H3
InChIKeyRAWSCGBLDQMIIA-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N,2-trimethylbutanamide?
The IUPAC name of 4-methoxy-N,N,2-trimethylbutanamide (CID 14463400) is 4-methoxy-N,N,2-trimethylbutanamide.
What is the SMILES notation for 4-methoxy-N,N,2-trimethylbutanamide?
The canonical SMILES for 4-methoxy-N,N,2-trimethylbutanamide is COCCC(C)C(=O)N(C)C.
What is the InChIKey of 4-methoxy-N,N,2-trimethylbutanamide?
The InChIKey is RAWSCGBLDQMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(5-6-11-4)8(10)9(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-N,N,2-trimethylbutanamide?
4-methoxy-N,N,2-trimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N,2-trimethylbutanamide is sourced from PubChem (CID 14463400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).