2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

C17H18N2O5 — CID 2912082

IUPAC2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-3-12-4-6-13(7-5-12)24-11-17(20)18-15-9-8-14(23-2)10-16(15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyKRURAPCYHLTYCY-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.18
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2912082) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2912082
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-3-12-4-6-13(7-5-12)24-11-17(20)18-15-9-8-14(23-2)10-16(15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyKRURAPCYHLTYCY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2912082) is 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is CCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is KRURAPCYHLTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-12-4-6-13(7-5-12)24-11-17(20)18-15-9-8-14(23-2)10-16(15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2912082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).