2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide

C12H15NO4 — CID 102548369

IUPAC2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CO1
InChIInChI=1S/C12H15NO4/c1-15-10-4-2-3-5-11(10)17-8-12(14)13-6-9-7-16-9/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyOPKBTMDGWDUTBC-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide

2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide (PubChem CID 102548369) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
PubChem CID102548369
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CO1
InChIInChI=1S/C12H15NO4/c1-15-10-4-2-3-5-11(10)17-8-12(14)13-6-9-7-16-9/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyOPKBTMDGWDUTBC-UHFFFAOYSA-N
XLogP0.59
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.59
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-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110369950
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
2-(3,4-dimethylphenoxy)-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 97180614
2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43047581
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
2-(2-methoxyphenoxy)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 110709914
2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 61023833
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethylphenoxy)acetamide
CID 127113071
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide (CID 102548369) is 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide is COc1ccccc1OCC(=O)NCC1CO1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide?
The InChIKey is OPKBTMDGWDUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-10-4-2-3-5-11(10)17-8-12(14)13-6-9-7-16-9/h2-5,9H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide?
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide is sourced from PubChem (CID 102548369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).