2-(2-methylpropoxy)butanamide

C8H17NO2 — CID 62900294

IUPAC2-(2-methylpropoxy)butanamide
SMILESCCC(OCC(C)C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-4-7(8(9)10)11-5-6(2)3/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyVNANOYKRXKFPAS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds5

About 2-(2-methylpropoxy)butanamide

2-(2-methylpropoxy)butanamide (PubChem CID 62900294) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)butanamide
PubChem CID62900294
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2-methylpropoxy)butanamide
SMILESCCC(OCC(C)C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-4-7(8(9)10)11-5-6(2)3/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyVNANOYKRXKFPAS-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2-methylpropoxy)butanamide?
The IUPAC name of 2-(2-methylpropoxy)butanamide (CID 62900294) is 2-(2-methylpropoxy)butanamide.
What is the SMILES notation for 2-(2-methylpropoxy)butanamide?
The canonical SMILES for 2-(2-methylpropoxy)butanamide is CCC(OCC(C)C)C(N)=O.
What is the InChIKey of 2-(2-methylpropoxy)butanamide?
The InChIKey is VNANOYKRXKFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(8(9)10)11-5-6(2)3/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-(2-methylpropoxy)butanamide?
2-(2-methylpropoxy)butanamide has a molecular weight of 159.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)butanamide is sourced from PubChem (CID 62900294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).