N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H18N2O5 — CID 17342416

IUPACN-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)12-3-6-14(7-4-12)24-10-17(21)18-15-9-13(19(22)23)5-8-16(15)20/h3-9,11,20H,10H2,1-2H3,(H,18,21)
InChIKeyWGDJIWSUNQGWGL-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.44
Rot. Bonds6

About N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 17342416) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID17342416
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)12-3-6-14(7-4-12)24-10-17(21)18-15-9-13(19(22)23)5-8-16(15)20/h3-9,11,20H,10H2,1-2H3,(H,18,21)
InChIKeyWGDJIWSUNQGWGL-UHFFFAOYSA-N
XLogP3.44
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
1-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 5415947
1-(3-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871027

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 17342416) is N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is WGDJIWSUNQGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(2)12-3-6-14(7-4-12)24-10-17(21)18-15-9-13(19(22)23)5-8-16(15)20/h3-9,11,20H,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 330.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17342416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).