N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide

C12H15NO3 — CID 86612852

IUPACN-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1OC[C@@H]1CO1
InChIInChI=1S/C12H15NO3/c1-13-12(14)6-9-4-2-3-5-11(9)16-8-10-7-15-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOXRQVHYJMWBDKJ-JTQLQIEISA-N
MW221.26 g/mol
LogP0.75
Rot. Bonds5

About N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide

N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide (PubChem CID 86612852) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
PubChem CID86612852
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1OC[C@@H]1CO1
InChIInChI=1S/C12H15NO3/c1-13-12(14)6-9-4-2-3-5-11(9)16-8-10-7-15-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOXRQVHYJMWBDKJ-JTQLQIEISA-N
XLogP0.75
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.75
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

ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
CID 101312440
[2-(1,3-dioxolan-4-ylmethoxy)phenyl]methanol
CID 86810362
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 22168337
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide (CID 86612852) is N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide is CNC(=O)Cc1ccccc1OC[C@@H]1CO1.
What is the InChIKey of N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The InChIKey is OXRQVHYJMWBDKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-12(14)6-9-4-2-3-5-11(9)16-8-10-7-15-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 86612852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).