4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide

C17H18N2O5 — CID 833818

IUPAC4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-23-15-8-6-5-7-13(15)18-17(20)12-9-10-16(24-4-2)14(11-12)19(21)22/h5-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyMPXLTIJOAZNGBC-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.64
Rot. Bonds7

About 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide

4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide (PubChem CID 833818) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide
PubChem CID833818
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-23-15-8-6-5-7-13(15)18-17(20)12-9-10-16(24-4-2)14(11-12)19(21)22/h5-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyMPXLTIJOAZNGBC-UHFFFAOYSA-N
XLogP3.64
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.64
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'}

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Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
3-Amino-4-methoxybenzanilide
CID 8426
VU0357121
CID 2296132
4'-Methoxy-3-nitrobenzanilide
CID 306529
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Ica-105574
CID 715924
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
Benzamide, 4-methoxy-3-nitro-
CID 82603
3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid
CID 91808023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-nitrobenzamide
CID 714125

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide (CID 833818) is 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide is CCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide?
The InChIKey is MPXLTIJOAZNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-23-15-8-6-5-7-13(15)18-17(20)12-9-10-16(24-4-2)14(11-12)19(21)22/h5-11H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide?
4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 833818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).