2-(2-methoxy-5-nitrophenoxy)acetamide

C9H10N2O5 — CID 7931860

IUPAC2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(N)=O
InChIInChI=1S/C9H10N2O5/c1-15-7-3-2-6(11(13)14)4-8(7)16-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyDZPJFKQQBVMXEE-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-methoxy-5-nitrophenoxy)acetamide

2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 7931860) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID7931860
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(N)=O
InChIInChI=1S/C9H10N2O5/c1-15-7-3-2-6(11(13)14)4-8(7)16-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyDZPJFKQQBVMXEE-UHFFFAOYSA-N
XLogP0.47
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.47
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-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
4-(2-methoxy-5-nitrophenoxy)-3-methylbut-2-enoic acid
CID 77005459
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 8608308
1-(2,5-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 40602594
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)acetamide (CID 7931860) is 2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(N)=O.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is DZPJFKQQBVMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-15-7-3-2-6(11(13)14)4-8(7)16-5-9(10)12/h2-4H,5H2,1H3,(H2,10,12).
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)acetamide?
2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 226.19 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 7931860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).