N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide

C12H15NO2 — CID 18316769

IUPACN-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C12H15NO2/c1-7-5-11(13-9(3)14)8(2)4-10(7)12-6-15-12/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyPZROYGOIIRJMCZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.33
Rot. Bonds2

About N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide

N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide (PubChem CID 18316769) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide
PubChem CID18316769
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C12H15NO2/c1-7-5-11(13-9(3)14)8(2)4-10(7)12-6-15-12/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyPZROYGOIIRJMCZ-UHFFFAOYSA-N
XLogP2.33
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
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-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide?
The IUPAC name of N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide (CID 18316769) is N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide is CC(=O)Nc1cc(C)c(C2CO2)cc1C.
What is the InChIKey of N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide?
The InChIKey is PZROYGOIIRJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-5-11(13-9(3)14)8(2)4-10(7)12-6-15-12/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide?
N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide is sourced from PubChem (CID 18316769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).