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

C12H16N2O5 — CID 10038657

IUPAC2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-13-11(16)7-8-6-9(14(17)18)4-5-10(8)15/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyUEOZRKARMGRMJS-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.69
Rot. Bonds4

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

2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 10038657) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID10038657
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-13-11(16)7-8-6-9(14(17)18)4-5-10(8)15/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKeyUEOZRKARMGRMJS-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
(2-hydroxy-5-nitrophenyl)methyl acetate
CID 68967158
2-(aminomethyl)-4-nitrophenol
CID 2115073
2-[[[(3R)-2,2-dimethylpentan-3-yl]amino]methyl]-4-nitrophenol
CID 58581757
3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide
CID 142621755
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-propylsulfanylacetamide
CID 47051897
4-nitro-2-(propylaminomethyl)phenol
CID 62071273
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 10038657) is 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)ONC(=O)Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UEOZRKARMGRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-13-11(16)7-8-6-9(14(17)18)4-5-10(8)15/h4-6,15H,7H2,1-3H3,(H,13,16).
What are the key properties of 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 10038657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).