N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide

C9H9N3O5 — CID 90848222

IUPACN-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
SMILESCOc1ccc(NC(=O)CN=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-4H,5H2,1H3,(H,11,13)
InChIKeyFWXKLFNFRRNIPQ-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.31
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide

N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide (PubChem CID 90848222) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
PubChem CID90848222
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
SMILESCOc1ccc(NC(=O)CN=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-4H,5H2,1H3,(H,11,13)
InChIKeyFWXKLFNFRRNIPQ-UHFFFAOYSA-N
XLogP1.31
TPSA110.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide (CID 90848222) is N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide is COc1ccc(NC(=O)CN=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide?
The InChIKey is FWXKLFNFRRNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide?
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide has a molecular weight of 239.19 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide is sourced from PubChem (CID 90848222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).