2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide

C12H14N2O5 — CID 115774349

IUPAC2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O
InChIInChI=1S/C12H14N2O5/c1-3-13-12(16)7-19-11-5-4-9(14(17)18)6-10(11)8(2)15/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyMGYKWSVYIOBIQZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.31
Rot. Bonds6

About 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide

2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide (PubChem CID 115774349) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide
PubChem CID115774349
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O
InChIInChI=1S/C12H14N2O5/c1-3-13-12(16)7-19-11-5-4-9(14(17)18)6-10(11)8(2)15/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyMGYKWSVYIOBIQZ-UHFFFAOYSA-N
XLogP1.31
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
methyl 2-(2-acetyl-4-nitrophenoxy)acetate
CID 13499189
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
1-[2-(3-methoxypropoxy)-5-nitrophenyl]ethanone
CID 62873760
2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide
CID 115774350
2-[2-(ethylaminomethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472704
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
1-[2-[(5-ethylthiophen-2-yl)methoxy]-5-nitrophenyl]ethanone
CID 116541610
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
1-[2-[(2R)-3-bromo-2-hydroxypropoxy]-5-nitrophenyl]ethanone
CID 11427119
1-[2-(3-methylsulfonylpropoxy)-5-nitrophenyl]ethanone
CID 115774331

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide (CID 115774349) is 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide?
The InChIKey is MGYKWSVYIOBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-3-13-12(16)7-19-11-5-4-9(14(17)18)6-10(11)8(2)15/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide?
2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide has a molecular weight of 266.25 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide is sourced from PubChem (CID 115774349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).