N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide

C11H13NO3 — CID 97180854

IUPACN-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H]1CO1
InChIInChI=1S/C11H13NO3/c13-11(12-6-10-7-14-10)8-15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyQKNRKOKJNUBAGL-SNVBAGLBSA-N
MW207.23 g/mol
LogP0.58
Rot. Bonds5

About N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide

N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 97180854) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
PubChem CID97180854
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H]1CO1
InChIInChI=1S/C11H13NO3/c13-11(12-6-10-7-14-10)8-15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyQKNRKOKJNUBAGL-SNVBAGLBSA-N
XLogP0.58
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
2-(3,4-dimethylphenoxy)-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 97180614
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
CID 102548369
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-phenoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 92761558
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
2-(4-chlorophenoxy)-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)acetamide
CID 90635233

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide (CID 97180854) is N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC[C@@H]1CO1.
What is the InChIKey of N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is QKNRKOKJNUBAGL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(12-6-10-7-14-10)8-15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide?
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 207.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 97180854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).