2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

C22H20N2O6 — CID 17130922

IUPAC2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20N2O6/c25-22(16-30-21-13-7-5-11-19(21)24(26)27)23-18-10-4-6-12-20(18)29-15-14-28-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,23,25)
InChIKeyOUGGQWNSSYLNLF-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.07
Rot. Bonds10

About 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17130922) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17130922
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20N2O6/c25-22(16-30-21-13-7-5-11-19(21)24(26)27)23-18-10-4-6-12-20(18)29-15-14-28-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,23,25)
InChIKeyOUGGQWNSSYLNLF-UHFFFAOYSA-N
XLogP4.07
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.07
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

2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
CID 7788820
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 17130922) is 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is OUGGQWNSSYLNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c25-22(16-30-21-13-7-5-11-19(21)24(26)27)23-18-10-4-6-12-20(18)29-15-14-28-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,23,25).
What are the key properties of 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17130922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).