N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide

C16H16N2O4 — CID 2632103

IUPACN-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCCc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-12-4-3-5-13(10-12)17-16(19)11-22-15-8-6-14(7-9-15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyXRWAKWHLEYHQRC-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds6

About N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide

N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2632103) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2632103
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCCc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-12-4-3-5-13(10-12)17-16(19)11-22-15-8-6-14(7-9-15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyXRWAKWHLEYHQRC-UHFFFAOYSA-N
XLogP3.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide (CID 2632103) is N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide is CCc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is XRWAKWHLEYHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-12-4-3-5-13(10-12)17-16(19)11-22-15-8-6-14(7-9-15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2632103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).