N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide

C13H16N2O5 — CID 107745481

IUPACN-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H16N2O5/c16-12-7-9(15(18)19)4-5-11(12)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17)
InChIKeyQLIUSXQFMJTJEE-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.20
Rot. Bonds4

About N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide

N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide (PubChem CID 107745481) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
PubChem CID107745481
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H16N2O5/c16-12-7-9(15(18)19)4-5-11(12)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17)
InChIKeyQLIUSXQFMJTJEE-UHFFFAOYSA-N
XLogP2.20
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.20
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)oxane-2-carboxamide
CID 107745486
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
2-bromo-4-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990617
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide (CID 107745481) is N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide?
The InChIKey is QLIUSXQFMJTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-12-7-9(15(18)19)4-5-11(12)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide?
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.20, 4 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)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 107745481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).