N-(2-methoxy-5-methylphenyl)-2-nitroacetamide

C10H12N2O4 — CID 21322087

IUPACN-(2-methoxy-5-methylphenyl)-2-nitroacetamide
SMILESCOc1ccc(C)cc1NC(=O)C[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-7-3-4-9(16-2)8(5-7)11-10(13)6-12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyVFEYGPQUVJBKLN-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.22
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-nitroacetamide

N-(2-methoxy-5-methylphenyl)-2-nitroacetamide (PubChem CID 21322087) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-nitroacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-nitroacetamide
PubChem CID21322087
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-nitroacetamide
SMILESCOc1ccc(C)cc1NC(=O)C[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-7-3-4-9(16-2)8(5-7)11-10(13)6-12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyVFEYGPQUVJBKLN-UHFFFAOYSA-N
XLogP1.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.22
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

N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072
N-(2-methoxy-5-methylphenyl)-3-methyl-3-(methylamino)butanamide
CID 110838289
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-nitroacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-nitroacetamide (CID 21322087) is N-(2-methoxy-5-methylphenyl)-2-nitroacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-nitroacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-nitroacetamide is COc1ccc(C)cc1NC(=O)C[N+](=O)[O-].
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-nitroacetamide?
The InChIKey is VFEYGPQUVJBKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-3-4-9(16-2)8(5-7)11-10(13)6-12(14)15/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-nitroacetamide?
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide has a molecular weight of 224.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-nitroacetamide is sourced from PubChem (CID 21322087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).