2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide

C12H16N2O5 — CID 103606726

IUPAC2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOCCOCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H16N2O5/c1-9-10(4-3-5-11(9)14(16)17)13-12(15)8-19-7-6-18-2/h3-5H,6-8H2,1-2H3,(H,13,15)
InChIKeyGBHQSQLDQUUOSM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.50
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide

2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 103606726) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID103606726
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOCCOCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H16N2O5/c1-9-10(4-3-5-11(9)14(16)17)13-12(15)8-19-7-6-18-2/h3-5H,6-8H2,1-2H3,(H,13,15)
InChIKeyGBHQSQLDQUUOSM-UHFFFAOYSA-N
XLogP1.50
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
CID 81082853
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488818
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578045
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2528009
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide (CID 103606726) is 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide is COCCOCC(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is GBHQSQLDQUUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-9-10(4-3-5-11(9)14(16)17)13-12(15)8-19-7-6-18-2/h3-5H,6-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 103606726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).