2-(2-methyl-3-nitrophenoxy)acetamide

C9H10N2O4 — CID 47214184

IUPAC2-(2-methyl-3-nitrophenoxy)acetamide
SMILESCc1c(OCC(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6-7(11(13)14)3-2-4-8(6)15-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyDBMKJMHNGAZVNN-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-methyl-3-nitrophenoxy)acetamide

2-(2-methyl-3-nitrophenoxy)acetamide (PubChem CID 47214184) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-methyl-3-nitrophenoxy)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-nitrophenoxy)acetamide
PubChem CID47214184
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(2-methyl-3-nitrophenoxy)acetamide
SMILESCc1c(OCC(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6-7(11(13)14)3-2-4-8(6)15-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyDBMKJMHNGAZVNN-UHFFFAOYSA-N
XLogP0.77
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dimethyl-3-(2-methyl-3-nitrophenoxy)propanoic acid
CID 79622273
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
CID 106933007
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
1-(3-bromopropoxy)-2-methyl-3-nitrobenzene
CID 43437961
diethyl 2-(2-methyl-3-nitrophenoxy)propanedioate
CID 174484705
(2R)-3-(2-methyl-3-nitrophenoxy)propane-1,2-diol
CID 13192797
N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
CID 43437970
2-(4-nitronaphthalen-1-yl)oxyacetamide
CID 55225970
1-but-3-ynoxy-2-methyl-3-nitrobenzene
CID 63655623
4-(2-methyl-3-nitrophenoxy)-2-(propylamino)butanamide
CID 63041100
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058598

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-nitrophenoxy)acetamide?
The IUPAC name of 2-(2-methyl-3-nitrophenoxy)acetamide (CID 47214184) is 2-(2-methyl-3-nitrophenoxy)acetamide.
What is the SMILES notation for 2-(2-methyl-3-nitrophenoxy)acetamide?
The canonical SMILES for 2-(2-methyl-3-nitrophenoxy)acetamide is Cc1c(OCC(N)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methyl-3-nitrophenoxy)acetamide?
The InChIKey is DBMKJMHNGAZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6-7(11(13)14)3-2-4-8(6)15-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12).
What are the key properties of 2-(2-methyl-3-nitrophenoxy)acetamide?
2-(2-methyl-3-nitrophenoxy)acetamide has a molecular weight of 210.19 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-nitrophenoxy)acetamide is sourced from PubChem (CID 47214184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).