2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide

C18H20N2O4 — CID 2787302

IUPAC2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)13-8-10-14(11-9-13)24-12-17(21)19-15-6-4-5-7-16(15)20(22)23/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyJGHYMEQBKOYARK-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide

2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide (PubChem CID 2787302) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
PubChem CID2787302
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)13-8-10-14(11-9-13)24-12-17(21)19-15-6-4-5-7-16(15)20(22)23/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyJGHYMEQBKOYARK-UHFFFAOYSA-N
XLogP3.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.91
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-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylbenzoate
CID 6957833

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide (CID 2787302) is 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide?
The InChIKey is JGHYMEQBKOYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,3)13-8-10-14(11-9-13)24-12-17(21)19-15-6-4-5-7-16(15)20(22)23/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide?
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2787302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).