N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide

C18H20N2O6 — CID 27875414

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O6/c1-2-24-14-7-9-15(10-8-14)25-12-11-19-18(21)13-26-17-6-4-3-5-16(17)20(22)23/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyHIGSAFJQKLZDPH-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.57
Rot. Bonds10

About N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 27875414) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID27875414
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O6/c1-2-24-14-7-9-15(10-8-14)25-12-11-19-18(21)13-26-17-6-4-3-5-16(17)20(22)23/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyHIGSAFJQKLZDPH-UHFFFAOYSA-N
XLogP2.57
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739932
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide (CID 27875414) is N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide is CCOc1ccc(OCCNC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is HIGSAFJQKLZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-2-24-14-7-9-15(10-8-14)25-12-11-19-18(21)13-26-17-6-4-3-5-16(17)20(22)23/h3-10H,2,11-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 27875414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).