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

C17H18N2O5 — CID 53267271

IUPAC2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-3-23-13-8-10-14(11-9-13)24-12(2)17(20)18-15-6-4-5-7-16(15)19(21)22/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyLUTXZGMXUTXBRH-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds7

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

2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide (PubChem CID 53267271) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
PubChem CID53267271
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-3-23-13-8-10-14(11-9-13)24-12(2)17(20)18-15-6-4-5-7-16(15)19(21)22/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyLUTXZGMXUTXBRH-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
CID 18837892
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7844573
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840639
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
[1-(2-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 42974885
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide (CID 53267271) is 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide is CCOc1ccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide?
The InChIKey is LUTXZGMXUTXBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-23-13-8-10-14(11-9-13)24-12(2)17(20)18-15-6-4-5-7-16(15)19(21)22/h4-12H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide?
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 53267271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).