3,4,5-trimethoxy-N-methyl-2-nitrobenzamide

C11H14N2O6 — CID 46786337

IUPAC3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
SMILESCNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O6/c1-12-11(14)6-5-7(17-2)9(18-3)10(19-4)8(6)13(15)16/h5H,1-4H3,(H,12,14)
InChIKeyKGDBLDLKZGGMDW-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.98
Rot. Bonds5

About 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide

3,4,5-trimethoxy-N-methyl-2-nitrobenzamide (PubChem CID 46786337) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
PubChem CID46786337
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
SMILESCNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O6/c1-12-11(14)6-5-7(17-2)9(18-3)10(19-4)8(6)13(15)16/h5H,1-4H3,(H,12,14)
InChIKeyKGDBLDLKZGGMDW-UHFFFAOYSA-N
XLogP0.98
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.98
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

methyl 2-methyl-2-[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]propanoate
CID 55609543
N-butyl-3,4,5-trimethoxy-2-nitrobenzamide
CID 36711009
N-(3,5-difluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 27055163
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
N-[(Z)-benzylideneamino]-3,4,5-trimethoxy-2-nitrobenzamide
CID 5434191
N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 46424831
N-(3-acetylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089461
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089488
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
N-[1-(2-fluorophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 46654013
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55881315

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide (CID 46786337) is 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide is CNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-].
What is the InChIKey of 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide?
The InChIKey is KGDBLDLKZGGMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-12-11(14)6-5-7(17-2)9(18-3)10(19-4)8(6)13(15)16/h5H,1-4H3,(H,12,14).
What are the key properties of 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide?
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide has a molecular weight of 270.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 46786337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).