N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H16N2O5 — CID 112604610

IUPACN-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-5-4-8(15)6-10(9)14(17)18/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyPFRUPXGTOAQKGV-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.05
Rot. Bonds4

About N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604610) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604610
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-5-4-8(15)6-10(9)14(17)18/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyPFRUPXGTOAQKGV-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': 'hydroquinone', '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-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
N-(3-bromo-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605620
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-nitrophenol
CID 81411844

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604610) is N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PFRUPXGTOAQKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-7-11(16)13-9-5-4-8(15)6-10(9)14(17)18/h4-6,15H,7H2,1-3H3,(H,13,16).
What are the key properties of N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-hydroxy-2-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-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).