N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide

C13H15NO4 — CID 141041988

IUPACN-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)=O)ccc1OCC1CO1
InChIInChI=1S/C13H15NO4/c1-8(15)10-3-4-13(18-7-11-6-17-11)12(5-10)14-9(2)16/h3-5,11H,6-7H2,1-2H3,(H,14,16)
InChIKeyWMSIBADSZPFBQZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.63
Rot. Bonds5

About N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide

N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide (PubChem CID 141041988) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
PubChem CID141041988
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)=O)ccc1OCC1CO1
InChIInChI=1S/C13H15NO4/c1-8(15)10-3-4-13(18-7-11-6-17-11)12(5-10)14-9(2)16/h3-5,11H,6-7H2,1-2H3,(H,14,16)
InChIKeyWMSIBADSZPFBQZ-UHFFFAOYSA-N
XLogP1.63
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 82156444
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
CID 82156416
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
CID 94763152
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 539751

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide (CID 141041988) is N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1cc(C(C)=O)ccc1OCC1CO1.
What is the InChIKey of N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide?
The InChIKey is WMSIBADSZPFBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8(15)10-3-4-13(18-7-11-6-17-11)12(5-10)14-9(2)16/h3-5,11H,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide?
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 141041988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).