N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide

C18H20N2O4 — CID 90598746

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1C
InChIInChI=1S/C18H20N2O4/c1-12-7-4-5-8-14(12)17(24-3)11-19-18(21)15-9-6-10-16(13(15)2)20(22)23/h4-10,17H,11H2,1-3H3,(H,19,21)
InChIKeyQEPRBLVSMXANMZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.33
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide (PubChem CID 90598746) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
PubChem CID90598746
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1C
InChIInChI=1S/C18H20N2O4/c1-12-7-4-5-8-14(12)17(24-3)11-19-18(21)15-9-6-10-16(13(15)2)20(22)23/h4-10,17H,11H2,1-3H3,(H,19,21)
InChIKeyQEPRBLVSMXANMZ-UHFFFAOYSA-N
XLogP3.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.33
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 N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-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

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90623331
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methyl-3-nitrobenzamide
CID 121180131
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-hydroxy-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
CID 66167701
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-nitrobenzamide
CID 42910730
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90598990
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 4785770
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide (CID 90598746) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide is COC(CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide?
The InChIKey is QEPRBLVSMXANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-7-4-5-8-14(12)17(24-3)11-19-18(21)15-9-6-10-16(13(15)2)20(22)23/h4-10,17H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide has a molecular weight of 328.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 90598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).