2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide

C18H19N3O6 — CID 18870056

IUPAC2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-3-26-15-7-8-16(17(10-15)21(24)25)20-18(23)11-27-14-6-4-5-13(9-14)19-12(2)22/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLVDVACMUKJJRLD-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.97
Rot. Bonds8

About 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide

2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide (PubChem CID 18870056) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
PubChem CID18870056
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-3-26-15-7-8-16(17(10-15)21(24)25)20-18(23)11-27-14-6-4-5-13(9-14)19-12(2)22/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLVDVACMUKJJRLD-UHFFFAOYSA-N
XLogP2.97
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
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

N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 3406860
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870365
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073202
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-acetamidophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977823
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide (CID 18870056) is 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide is CCOc1ccc(NC(=O)COc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is LVDVACMUKJJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-3-26-15-7-8-16(17(10-15)21(24)25)20-18(23)11-27-14-6-4-5-13(9-14)19-12(2)22/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 18870056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).