2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide

C21H18N2O6 — CID 48846843

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
SMILESCOc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O6/c1-27-20-13-16(11-12-18(20)23(25)26)28-14-21(24)22-17-9-5-6-10-19(17)29-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,24)
InChIKeyHISLIPZIYJDLJZ-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.41
Rot. Bonds8

About 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide

2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide (PubChem CID 48846843) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
PubChem CID48846843
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
SMILESCOc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O6/c1-27-20-13-16(11-12-18(20)23(25)26)28-14-21(24)22-17-9-5-6-10-19(17)29-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,24)
InChIKeyHISLIPZIYJDLJZ-UHFFFAOYSA-N
XLogP4.41
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide 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-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-(3-methoxy-4-nitrophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 95164929
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
4-methoxy-2-[2-oxo-2-(2-phenoxyanilino)ethoxy]benzamide
CID 17478551
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide (CID 48846843) is 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide is COc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is HISLIPZIYJDLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c1-27-20-13-16(11-12-18(20)23(25)26)28-14-21(24)22-17-9-5-6-10-19(17)29-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 394.38 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 48846843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).