2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide

C9H8N2O4 — CID 174314719

IUPAC2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide
SMILESCOc1cc(CC(=O)N=O)ccc1N=O
InChIInChI=1S/C9H8N2O4/c1-15-8-4-6(5-9(12)11-14)2-3-7(8)10-13/h2-4H,5H2,1H3
InChIKeySRDBXSHPTIPGLD-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.93
Rot. Bonds4

About 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide

2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide (PubChem CID 174314719) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide
PubChem CID174314719
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide
SMILESCOc1cc(CC(=O)N=O)ccc1N=O
InChIInChI=1S/C9H8N2O4/c1-15-8-4-6(5-9(12)11-14)2-3-7(8)10-13/h2-4H,5H2,1H3
InChIKeySRDBXSHPTIPGLD-UHFFFAOYSA-N
XLogP1.93
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
CID 89050069
(4-amino-3-methoxy-5-nitrosophenyl)methanol
CID 163908630
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide
CID 89486960
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol
CID 144899202
2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
CID 168531416
1-[N-(1-hydroxyethyl)-3-methoxy-4-nitrosoanilino]ethanol;hydrochloride
CID 90421396
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide?
The IUPAC name of 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide (CID 174314719) is 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide is COc1cc(CC(=O)N=O)ccc1N=O.
What is the InChIKey of 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide?
The InChIKey is SRDBXSHPTIPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-15-8-4-6(5-9(12)11-14)2-3-7(8)10-13/h2-4H,5H2,1H3.
What are the key properties of 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide?
2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide has a molecular weight of 208.17 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide is sourced from PubChem (CID 174314719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).