N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide

C12H14N2O5 — CID 107745486

IUPACN-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCO1
InChIInChI=1S/C12H14N2O5/c15-10-7-8(14(17)18)4-5-9(10)13-12(16)11-3-1-2-6-19-11/h4-5,7,11,15H,1-3,6H2,(H,13,16)
InChIKeyWDSJUVYABXGDMM-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.81
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide

N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide (PubChem CID 107745486) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
PubChem CID107745486
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCO1
InChIInChI=1S/C12H14N2O5/c15-10-7-8(14(17)18)4-5-9(10)13-12(16)11-3-1-2-6-19-11/h4-5,7,11,15H,1-3,6H2,(H,13,16)
InChIKeyWDSJUVYABXGDMM-UHFFFAOYSA-N
XLogP1.81
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.81
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-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-4-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107745484
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7640466
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide (CID 107745486) is N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCO1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide?
The InChIKey is WDSJUVYABXGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10-7-8(14(17)18)4-5-9(10)13-12(16)11-3-1-2-6-19-11/h4-5,7,11,15H,1-3,6H2,(H,13,16).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide?
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide is sourced from PubChem (CID 107745486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).