2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide

C16H16N2O4 — CID 2792230

IUPAC2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-12(13-5-3-2-4-6-13)17-16(19)11-22-15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyWSCNOWZOBPOZJY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.85
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide

2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 2792230) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
PubChem CID2792230
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-12(13-5-3-2-4-6-13)17-16(19)11-22-15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyWSCNOWZOBPOZJY-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

Etofamide
CID 65718
(S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
CID 6918635
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
N-((Phenylmethoxy)carbonyl)glycine 4-nitrophenyl ester
CID 15616
Mls002706796
CID 273306
4-[(4-Nitro-phenoxy)-phenyl-methyl]-piperidine
CID 9926786
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
N-methyl-4-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 14645095
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide (CID 2792230) is 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is WSCNOWZOBPOZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-12(13-5-3-2-4-6-13)17-16(19)11-22-15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19).
What are the key properties of 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2792230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).