ethane;2-methoxy-N-methyl-3-nitrobenzamide

C11H16N2O4 — CID 143076658

IUPACethane;2-methoxy-N-methyl-3-nitrobenzamide
SMILESCC.CNC(=O)c1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C9H10N2O4.C2H6/c1-10-9(12)6-4-3-5-7(11(13)14)8(6)15-2;1-2/h3-5H,1-2H3,(H,10,12);1-2H3
InChIKeyRFZANOCGGHJYNV-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.99
Rot. Bonds3

About ethane;2-methoxy-N-methyl-3-nitrobenzamide

ethane;2-methoxy-N-methyl-3-nitrobenzamide (PubChem CID 143076658) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethane;2-methoxy-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Nameethane;2-methoxy-N-methyl-3-nitrobenzamide
PubChem CID143076658
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethane;2-methoxy-N-methyl-3-nitrobenzamide
SMILESCC.CNC(=O)c1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C9H10N2O4.C2H6/c1-10-9(12)6-4-3-5-7(11(13)14)8(6)15-2;1-2/h3-5H,1-2H3,(H,10,12);1-2H3
InChIKeyRFZANOCGGHJYNV-UHFFFAOYSA-N
XLogP1.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-methoxy-N-methyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-nitrobenzoyl chloride
CID 21406531
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-3-nitrobenzamide
CID 104981317
(2S)-2-hydroxy-3-[(2-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 107833599
1-N-methyl-3-nitrobenzene-1,2-dicarboxamide
CID 156773626
N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
N-(2-hydroxy-4-methylpentyl)-2-methoxy-3-nitrobenzamide
CID 107155337
potassium 2-methoxy-3-nitrophenol
CID 67083613
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-3-nitrobenzamide
CID 114630935
N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
CID 104620300
[3-(bromomethyl)azetidin-1-yl]-(2-methoxy-3-nitrophenyl)methanone
CID 112745337
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
(2-methoxy-3-nitrophenyl) dihydrogen phosphate
CID 172766793

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-methyl-3-nitrobenzamide?
The IUPAC name of ethane;2-methoxy-N-methyl-3-nitrobenzamide (CID 143076658) is ethane;2-methoxy-N-methyl-3-nitrobenzamide.
What is the SMILES notation for ethane;2-methoxy-N-methyl-3-nitrobenzamide?
The canonical SMILES for ethane;2-methoxy-N-methyl-3-nitrobenzamide is CC.CNC(=O)c1cccc([N+](=O)[O-])c1OC.
What is the InChIKey of ethane;2-methoxy-N-methyl-3-nitrobenzamide?
The InChIKey is RFZANOCGGHJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.C2H6/c1-10-9(12)6-4-3-5-7(11(13)14)8(6)15-2;1-2/h3-5H,1-2H3,(H,10,12);1-2H3.
What are the key properties of ethane;2-methoxy-N-methyl-3-nitrobenzamide?
ethane;2-methoxy-N-methyl-3-nitrobenzamide has a molecular weight of 240.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 143076658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).