2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide

C11H13N3O7 — CID 17359083

IUPAC2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O7/c1-20-5-4-12-11(15)7-21-10-3-2-8(13(16)17)6-9(10)14(18)19/h2-3,6H,4-5,7H2,1H3,(H,12,15)
InChIKeyIXWJMQILDMUAKE-UHFFFAOYSA-N
MW299.24 g/mol
LogP0.64
Rot. Bonds8

About 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide

2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 17359083) has the molecular formula C11H13N3O7 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID17359083
Molecular FormulaC11H13N3O7
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Name2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O7/c1-20-5-4-12-11(15)7-21-10-3-2-8(13(16)17)6-9(10)14(18)19/h2-3,6H,4-5,7H2,1H3,(H,12,15)
InChIKeyIXWJMQILDMUAKE-UHFFFAOYSA-N
XLogP0.64
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497
3-[2-(2-methoxyethylamino)-2-oxoethoxy]-4-nitrobenzoic acid
CID 45293053
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide (CID 17359083) is 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is IXWJMQILDMUAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O7/c1-20-5-4-12-11(15)7-21-10-3-2-8(13(16)17)6-9(10)14(18)19/h2-3,6H,4-5,7H2,1H3,(H,12,15).
What are the key properties of 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide?
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 299.24 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 17359083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).