N-(methoxymethoxy)-2-methyl-3-nitrobenzamide

C10H12N2O5 — CID 110495565

IUPACN-(methoxymethoxy)-2-methyl-3-nitrobenzamide
SMILESCOCONC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O5/c1-7-8(10(13)11-17-6-16-2)4-3-5-9(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyGFYGOPMGNAWERZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.17
Rot. Bonds5

About N-(methoxymethoxy)-2-methyl-3-nitrobenzamide

N-(methoxymethoxy)-2-methyl-3-nitrobenzamide (PubChem CID 110495565) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(methoxymethoxy)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(methoxymethoxy)-2-methyl-3-nitrobenzamide
PubChem CID110495565
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC NameN-(methoxymethoxy)-2-methyl-3-nitrobenzamide
SMILESCOCONC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O5/c1-7-8(10(13)11-17-6-16-2)4-3-5-9(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyGFYGOPMGNAWERZ-UHFFFAOYSA-N
XLogP1.17
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]propanoate
CID 60638962
ethyl 2-methyl-3-nitrobenzoate
CID 2985503
N-[(2R)-1-aminopropan-2-yl]-2-methyl-3-nitrobenzamide
CID 98540266
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
methyl (2S)-4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]pentanoate
CID 7299498
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-3-nitrobenzamide;hydrochloride
CID 119569053
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethoxy)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(methoxymethoxy)-2-methyl-3-nitrobenzamide (CID 110495565) is N-(methoxymethoxy)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(methoxymethoxy)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(methoxymethoxy)-2-methyl-3-nitrobenzamide is COCONC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(methoxymethoxy)-2-methyl-3-nitrobenzamide?
The InChIKey is GFYGOPMGNAWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-7-8(10(13)11-17-6-16-2)4-3-5-9(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of N-(methoxymethoxy)-2-methyl-3-nitrobenzamide?
N-(methoxymethoxy)-2-methyl-3-nitrobenzamide has a molecular weight of 240.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 110495565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).