N-(2-hydroxy-4-nitrophenyl)hexanamide

C12H16N2O4 — CID 4544096

IUPACN-(2-hydroxy-4-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H16N2O4/c1-2-3-4-5-12(16)13-10-7-6-9(14(17)18)8-11(10)15/h6-8,15H,2-5H2,1H3,(H,13,16)
InChIKeyLJVNDGMXQHDAIN-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.82
Rot. Bonds6

About N-(2-hydroxy-4-nitrophenyl)hexanamide

N-(2-hydroxy-4-nitrophenyl)hexanamide (PubChem CID 4544096) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)hexanamide
PubChem CID4544096
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-hydroxy-4-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H16N2O4/c1-2-3-4-5-12(16)13-10-7-6-9(14(17)18)8-11(10)15/h6-8,15H,2-5H2,1H3,(H,13,16)
InChIKeyLJVNDGMXQHDAIN-UHFFFAOYSA-N
XLogP2.82
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)hexanamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)hexanamide (CID 4544096) is N-(2-hydroxy-4-nitrophenyl)hexanamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)hexanamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)hexanamide is CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)hexanamide?
The InChIKey is LJVNDGMXQHDAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-3-4-5-12(16)13-10-7-6-9(14(17)18)8-11(10)15/h6-8,15H,2-5H2,1H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)hexanamide?
N-(2-hydroxy-4-nitrophenyl)hexanamide has a molecular weight of 252.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)hexanamide is sourced from PubChem (CID 4544096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).