N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide

C11H13NO3 — CID 737230

IUPACN-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-9-2-4-10(5-3-9)14-6-11-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)/t11-/m1/s1
InChIKeyOQAKYHCGYGLHAZ-LLVKDONJSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds4

About N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide

N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide (PubChem CID 737230) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
PubChem CID737230
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-9-2-4-10(5-3-9)14-6-11-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)/t11-/m1/s1
InChIKeyOQAKYHCGYGLHAZ-LLVKDONJSA-N
XLogP1.42
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.42
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-[4-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 19762958
N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 129387400
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
[4-(oxiran-2-ylmethoxy)phenyl] 2-methylbut-2-enoate
CID 174782278
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 539751
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide (CID 737230) is N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H]2CO2)cc1.
What is the InChIKey of N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
The InChIKey is OQAKYHCGYGLHAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-9-2-4-10(5-3-9)14-6-11-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)/t11-/m1/s1.
What are the key properties of N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide?
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide has a molecular weight of 207.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 737230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).