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

C16H16N2O4 — CID 4537093

IUPACN-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide
SMILESCCOc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-2-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,19)
InChIKeyUESDHVNMRUWDBM-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds6

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

N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide (PubChem CID 4537093) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide
PubChem CID4537093
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide
SMILESCCOc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-2-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,19)
InChIKeyUESDHVNMRUWDBM-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

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxo-
CID 95091
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-(3-methoxyphenyl)-3-nitrobenzamide
CID 306640
4-(isopropylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 25175299
N-(3-methoxyphenyl)-3-nitro-4-(propylamino)benzamide
CID 25175300
4-(ethylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 25175301
N-(3-methoxyphenyl)-3-nitro-4-(phenylamino)benzamide
CID 25175303
n-[4-(Benzyloxy)-2-nitrophenyl]acetamide
CID 265888
N-(2-methoxy-4-nitrophenyl)-2-phenylacetamide
CID 307332
Acetamide, N-(4-ethoxy-2-nitrophenyl)-
CID 70170

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide (CID 4537093) is N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide is CCOc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide?
The InChIKey is UESDHVNMRUWDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide?
N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide 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-ethoxy-2-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 4537093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).