2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide

C19H21N3O5 — CID 9070894

IUPAC2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O5/c1-2-27-17-10-4-3-9-16(17)19(24)20-12-6-11-18(23)21-14-7-5-8-15(13-14)22(25)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyFVWUJEMQVMIAMN-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.14
Rot. Bonds9

About 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide

2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide (PubChem CID 9070894) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
PubChem CID9070894
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O5/c1-2-27-17-10-4-3-9-16(17)19(24)20-12-6-11-18(23)21-14-7-5-8-15(13-14)22(25)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyFVWUJEMQVMIAMN-UHFFFAOYSA-N
XLogP3.14
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.14
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 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]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

2-ethoxy-N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]benzamide
CID 9077017
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
2-ethoxy-N-[4-[methyl-[1-(3-nitrophenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 46449764
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 41262664
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide (CID 9070894) is 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide?
The InChIKey is FVWUJEMQVMIAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-2-27-17-10-4-3-9-16(17)19(24)20-12-6-11-18(23)21-14-7-5-8-15(13-14)22(25)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide?
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 9070894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).