N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H16N2O5 — CID 103944777

IUPACN-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-6-8(14(17)18)4-5-10(9)15/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyIQJSBRJURRUMTL-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.05
Rot. Bonds4

About N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103944777) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103944777
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-6-8(14(17)18)4-5-10(9)15/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyIQJSBRJURRUMTL-UHFFFAOYSA-N
XLogP2.05
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.05
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

N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103944777) is N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is IQJSBRJURRUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-6-8(14(17)18)4-5-10(9)15/h4-6,15H,7H2,1-3H3,(H,13,16).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 268.27 g/mol, XLogP of 2.05, 4 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103944777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).