N-tert-butyl-N-(oxiran-2-yl)acetamide

C8H15NO2 — CID 142537286

IUPACN-tert-butyl-N-(oxiran-2-yl)acetamide
SMILESCC(=O)N(C1CO1)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(10)9(7-5-11-7)8(2,3)4/h7H,5H2,1-4H3
InChIKeyCZTNLPZDKBQJGP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds1

About N-tert-butyl-N-(oxiran-2-yl)acetamide

N-tert-butyl-N-(oxiran-2-yl)acetamide (PubChem CID 142537286) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-tert-butyl-N-(oxiran-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-(oxiran-2-yl)acetamide
PubChem CID142537286
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-tert-butyl-N-(oxiran-2-yl)acetamide
SMILESCC(=O)N(C1CO1)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(10)9(7-5-11-7)8(2,3)4/h7H,5H2,1-4H3
InChIKeyCZTNLPZDKBQJGP-UHFFFAOYSA-N
XLogP0.99
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[[(2S)-oxiran-2-yl]methyl]acetamide
CID 59515490
N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 59515491
N-tert-butyl-N-(2-methoxyethyl)acetamide
CID 59671792
N-tert-butyl-N-(oxiran-2-ylmethyl)acetamide
CID 72312131
N-methyl-N-(oxiran-2-yl)acetamide
CID 87931799
N-(oxiran-2-yl)-N-propan-2-ylacetamide
CID 142537278

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(oxiran-2-yl)acetamide?
The IUPAC name of N-tert-butyl-N-(oxiran-2-yl)acetamide (CID 142537286) is N-tert-butyl-N-(oxiran-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-(oxiran-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-(oxiran-2-yl)acetamide is CC(=O)N(C1CO1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(oxiran-2-yl)acetamide?
The InChIKey is CZTNLPZDKBQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)9(7-5-11-7)8(2,3)4/h7H,5H2,1-4H3.
What are the key properties of N-tert-butyl-N-(oxiran-2-yl)acetamide?
N-tert-butyl-N-(oxiran-2-yl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(oxiran-2-yl)acetamide is sourced from PubChem (CID 142537286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).