N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide

C13H16N2O5 — CID 99718437

IUPACN-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCO1)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O5/c16-12-5-4-9(7-11(12)15(18)19)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17)/t10-/m1/s1
InChIKeyYQLTWFPCAOBEIT-SNVBAGLBSA-N
MW280.28 g/mol
LogP2.20
Rot. Bonds4

About N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide

N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide (PubChem CID 99718437) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
PubChem CID99718437
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCO1)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O5/c16-12-5-4-9(7-11(12)15(18)19)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17)/t10-/m1/s1
InChIKeyYQLTWFPCAOBEIT-SNVBAGLBSA-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': '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-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 99718479
N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 51108261
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
2-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608202
N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 113456796
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide?
The IUPAC name of N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide (CID 99718437) is N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide.
What is the SMILES notation for N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide?
The canonical SMILES for N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide is O=C(C[C@H]1CCCCO1)Nc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide?
The InChIKey is YQLTWFPCAOBEIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-12-5-4-9(7-11(12)15(18)19)14-13(17)8-10-3-1-2-6-20-10/h4-5,7,10,16H,1-3,6,8H2,(H,14,17)/t10-/m1/s1.
What are the key properties of N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide?
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-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-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide is sourced from PubChem (CID 99718437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).