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

C16H16N2O4 — CID 1377182

IUPACN-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-15-9-5-13(6-10-15)17-16(19)11-12-3-7-14(8-4-12)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyPDOMVFAITLCDGS-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 1377182) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID1377182
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-15-9-5-13(6-10-15)17-16(19)11-12-3-7-14(8-4-12)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyPDOMVFAITLCDGS-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-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
1-[(4-ethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 108884371
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
CID 9405238
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide (CID 1377182) is N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide is CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is PDOMVFAITLCDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-15-9-5-13(6-10-15)17-16(19)11-12-3-7-14(8-4-12)18(20)21/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide?
N-(4-ethoxyphenyl)-2-(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 N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 1377182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).