4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

C17H18N2O5 — CID 9394635

IUPAC4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC
InChIInChI=1S/C17H18N2O5/c1-4-24-15-9-8-12(10-16(15)23-3)17(20)18-13-6-5-7-14(11(13)2)19(21)22/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyDKGVZWRXVIUZMU-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.56
Rot. Bonds6

About 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 9394635) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID9394635
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC
InChIInChI=1S/C17H18N2O5/c1-4-24-15-9-8-12(10-16(15)23-3)17(20)18-13-6-5-7-14(11(13)2)19(21)22/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyDKGVZWRXVIUZMU-UHFFFAOYSA-N
XLogP3.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide 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

3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561767
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
3-bromo-4-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 3261815
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 17112581
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (CID 9394635) is 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is DKGVZWRXVIUZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-4-24-15-9-8-12(10-16(15)23-3)17(20)18-13-6-5-7-14(11(13)2)19(21)22/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 330.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 9394635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).