N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide

C16H16N2O5 — CID 717206

IUPACN-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-2-22-13-9-7-12(8-10-13)17-16(19)11-23-15-6-4-3-5-14(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyFPFFFRRSVNTLHK-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.01
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide

N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 717206) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID717206
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-2-22-13-9-7-12(8-10-13)17-16(19)11-23-15-6-4-3-5-14(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyFPFFFRRSVNTLHK-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

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
methyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122444
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833036
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide (CID 717206) is N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide is CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is FPFFFRRSVNTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-22-13-9-7-12(8-10-13)17-16(19)11-23-15-6-4-3-5-14(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide 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-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 717206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).