N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide

C16H16N2O5 — CID 2876934

IUPACN-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
SMILESCCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-2-22-13-8-9-14(15(10-13)18(20)21)17-16(19)11-23-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyIOCOWPVADGSBJQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.01
Rot. Bonds7

About N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide

N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide (PubChem CID 2876934) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
PubChem CID2876934
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
SMILESCCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-2-22-13-8-9-14(15(10-13)18(20)21)17-16(19)11-23-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyIOCOWPVADGSBJQ-UHFFFAOYSA-N
XLogP3.01
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.01
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

2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 3406860
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073202
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
CID 7409386
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3890820
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
CID 18837892
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide (CID 2876934) is N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide is CCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide?
The InChIKey is IOCOWPVADGSBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-22-13-8-9-14(15(10-13)18(20)21)17-16(19)11-23-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide?
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide has a molecular weight of 316.31 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 2876934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).