2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C18H20N2O6 — CID 53267146

IUPAC2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-4-25-14-6-8-15(9-7-14)26-12(2)18(21)19-16-10-5-13(20(22)23)11-17(16)24-3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyZGCMEXMLTMJLLD-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.41
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 53267146) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID53267146
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-4-25-14-6-8-15(9-7-14)26-12(2)18(21)19-16-10-5-13(20(22)23)11-17(16)24-3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyZGCMEXMLTMJLLD-UHFFFAOYSA-N
XLogP3.41
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.41
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'}

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Related Compounds

(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983907
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211794
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558658
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018796
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139860
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 53267146) is 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is CCOc1ccc(OC(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is ZGCMEXMLTMJLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-4-25-14-6-8-15(9-7-14)26-12(2)18(21)19-16-10-5-13(20(22)23)11-17(16)24-3/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 360.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 53267146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).