N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide

C16H16N2O4 — CID 19166772

IUPACN-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c19-16(12-22-15-4-2-1-3-5-15)17-11-10-13-6-8-14(9-7-13)18(20)21/h1-9H,10-12H2,(H,17,19)
InChIKeyLSILCDDMUKYXOM-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.33
Rot. Bonds7

About N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide

N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide (PubChem CID 19166772) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
PubChem CID19166772
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c19-16(12-22-15-4-2-1-3-5-15)17-11-10-13-6-8-14(9-7-13)18(20)21/h1-9H,10-12H2,(H,17,19)
InChIKeyLSILCDDMUKYXOM-UHFFFAOYSA-N
XLogP2.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.33
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-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 18765723
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35344762
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110314008
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide (CID 19166772) is N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is LSILCDDMUKYXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-16(12-22-15-4-2-1-3-5-15)17-11-10-13-6-8-14(9-7-13)18(20)21/h1-9H,10-12H2,(H,17,19).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide?
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 300.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 19166772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).