N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide

C17H17NO2 — CID 97180818

IUPACN-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NC[C@H]1CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(18-11-15-12-20-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyODJKPRGTLUPGCK-HNNXBMFYSA-N
MW267.33 g/mol
LogP2.33
Rot. Bonds5

About N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide

N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide (PubChem CID 97180818) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
PubChem CID97180818
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NC[C@H]1CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(18-11-15-12-20-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyODJKPRGTLUPGCK-HNNXBMFYSA-N
XLogP2.33
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.33
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 N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide (CID 97180818) is N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide is O=C(NC[C@H]1CO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is ODJKPRGTLUPGCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-11-15-12-20-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide?
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 267.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 97180818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).