2,4,6-trimethoxy-N-methyl-N-oxidobenzamide

C11H14NO5- — CID 163503558

IUPAC2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
SMILESCOc1cc(OC)c(C(=O)N(C)[O-])c(OC)c1
InChIInChI=1S/C11H14NO5/c1-12(14)11(13)10-8(16-3)5-7(15-2)6-9(10)17-4/h5-6H,1-4H3/q-1
InChIKeyLZFXMANKSAECAI-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.28
Rot. Bonds4

About 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide

2,4,6-trimethoxy-N-methyl-N-oxidobenzamide (PubChem CID 163503558) has the molecular formula C11H14NO5- and a molecular weight of 240.23 g/mol. Its IUPAC name is 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide.

Molecular Properties

Compound Name2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
PubChem CID163503558
Molecular FormulaC11H14NO5-
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
SMILESCOc1cc(OC)c(C(=O)N(C)[O-])c(OC)c1
InChIInChI=1S/C11H14NO5/c1-12(14)11(13)10-8(16-3)5-7(15-2)6-9(10)17-4/h5-6H,1-4H3/q-1
InChIKeyLZFXMANKSAECAI-UHFFFAOYSA-N
XLogP1.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one
CID 119085445
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
CID 110764655

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide?
The IUPAC name of 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide (CID 163503558) is 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide.
What is the SMILES notation for 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide?
The canonical SMILES for 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide is COc1cc(OC)c(C(=O)N(C)[O-])c(OC)c1.
What is the InChIKey of 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide?
The InChIKey is LZFXMANKSAECAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO5/c1-12(14)11(13)10-8(16-3)5-7(15-2)6-9(10)17-4/h5-6H,1-4H3/q-1.
What are the key properties of 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide?
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide has a molecular weight of 240.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-N-methyl-N-oxidobenzamide is sourced from PubChem (CID 163503558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).