2-methyl-2-(oxiran-2-ylmethyl)butanamide

C8H15NO2 — CID 155124478

IUPAC2-methyl-2-(oxiran-2-ylmethyl)butanamide
SMILESCCC(C)(CC1CO1)C(N)=O
InChIInChI=1S/C8H15NO2/c1-3-8(2,7(9)10)4-6-5-11-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyNMLDVSOZIIKSDH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds4

About 2-methyl-2-(oxiran-2-ylmethyl)butanamide

2-methyl-2-(oxiran-2-ylmethyl)butanamide (PubChem CID 155124478) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-2-(oxiran-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-methyl-2-(oxiran-2-ylmethyl)butanamide
PubChem CID155124478
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-2-(oxiran-2-ylmethyl)butanamide
SMILESCCC(C)(CC1CO1)C(N)=O
InChIInChI=1S/C8H15NO2/c1-3-8(2,7(9)10)4-6-5-11-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyNMLDVSOZIIKSDH-UHFFFAOYSA-N
XLogP0.68
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxiran-2-ylmethyl)butanamide?
The IUPAC name of 2-methyl-2-(oxiran-2-ylmethyl)butanamide (CID 155124478) is 2-methyl-2-(oxiran-2-ylmethyl)butanamide.
What is the SMILES notation for 2-methyl-2-(oxiran-2-ylmethyl)butanamide?
The canonical SMILES for 2-methyl-2-(oxiran-2-ylmethyl)butanamide is CCC(C)(CC1CO1)C(N)=O.
What is the InChIKey of 2-methyl-2-(oxiran-2-ylmethyl)butanamide?
The InChIKey is NMLDVSOZIIKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(2,7(9)10)4-6-5-11-6/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-methyl-2-(oxiran-2-ylmethyl)butanamide?
2-methyl-2-(oxiran-2-ylmethyl)butanamide has a molecular weight of 157.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxiran-2-ylmethyl)butanamide is sourced from PubChem (CID 155124478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).