N-(oxiran-2-yl)-N-propan-2-ylacetamide

C7H13NO2 — CID 142537278

IUPACN-(oxiran-2-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)C1CO1
InChIInChI=1S/C7H13NO2/c1-5(2)8(6(3)9)7-4-10-7/h5,7H,4H2,1-3H3
InChIKeyJIWOLFDQXCCVRL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds2

About N-(oxiran-2-yl)-N-propan-2-ylacetamide

N-(oxiran-2-yl)-N-propan-2-ylacetamide (PubChem CID 142537278) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(oxiran-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(oxiran-2-yl)-N-propan-2-ylacetamide
PubChem CID142537278
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(oxiran-2-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)C1CO1
InChIInChI=1S/C7H13NO2/c1-5(2)8(6(3)9)7-4-10-7/h5,7H,4H2,1-3H3
InChIKeyJIWOLFDQXCCVRL-UHFFFAOYSA-N
XLogP0.60
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(oxiran-2-yl)-N-propan-2-ylacetamide (CID 142537278) is N-(oxiran-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(oxiran-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(oxiran-2-yl)-N-propan-2-ylacetamide is CC(=O)N(C(C)C)C1CO1.
What is the InChIKey of N-(oxiran-2-yl)-N-propan-2-ylacetamide?
The InChIKey is JIWOLFDQXCCVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)8(6(3)9)7-4-10-7/h5,7H,4H2,1-3H3.
What are the key properties of N-(oxiran-2-yl)-N-propan-2-ylacetamide?
N-(oxiran-2-yl)-N-propan-2-ylacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 142537278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).