N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

C18H21N3O4 — CID 27826267

IUPACN-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-13-4-7-15(8-5-13)20-18(22)14-6-9-16(19-10-11-25-2)17(12-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyDNJQTRZYKBNYTH-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.47
Rot. Bonds8

About N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 27826267) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID27826267
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-13-4-7-15(8-5-13)20-18(22)14-6-9-16(19-10-11-25-2)17(12-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyDNJQTRZYKBNYTH-UHFFFAOYSA-N
XLogP3.47
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-ethylphenyl)-4-(2-methoxyethylamino)-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-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 24628947
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 27826267) is N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is CCc1ccc(NC(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is DNJQTRZYKBNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-13-4-7-15(8-5-13)20-18(22)14-6-9-16(19-10-11-25-2)17(12-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 343.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 27826267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).