2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide

C16H16N2O4 — CID 2792700

IUPAC2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-12-4-3-5-15(10-12)22-11-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyMPVZSVGUVJLYLU-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds6

About 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide

2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide (PubChem CID 2792700) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
PubChem CID2792700
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-12-4-3-5-15(10-12)22-11-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyMPVZSVGUVJLYLU-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

N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
CID 1317603
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 7925013
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
CID 28867409
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide (CID 2792700) is 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide is CCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide?
The InChIKey is MPVZSVGUVJLYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-12-4-3-5-15(10-12)22-11-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide?
2-(3-ethylphenoxy)-N-(4-nitrophenyl)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 2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2792700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).