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

C15H20N2O4 — CID 107745413

IUPACN-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCCCC1
InChIInChI=1S/C15H20N2O4/c18-14-10-12(17(20)21)8-9-13(14)16-15(19)11-6-4-2-1-3-5-7-11/h8-11,18H,1-7H2,(H,16,19)
InChIKeyRYLMHPHAHPNQBO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.60
Rot. Bonds3

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

N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide (PubChem CID 107745413) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
PubChem CID107745413
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCCCC1
InChIInChI=1S/C15H20N2O4/c18-14-10-12(17(20)21)8-9-13(14)16-15(19)11-6-4-2-1-3-5-7-11/h8-11,18H,1-7H2,(H,16,19)
InChIKeyRYLMHPHAHPNQBO-UHFFFAOYSA-N
XLogP3.60
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(2-hydroxy-4-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107745484
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
(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-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide (CID 107745413) is N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)C1CCCCCCC1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide?
The InChIKey is RYLMHPHAHPNQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14-10-12(17(20)21)8-9-13(14)16-15(19)11-6-4-2-1-3-5-7-11/h8-11,18H,1-7H2,(H,16,19).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide?
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide has a molecular weight of 292.33 g/mol, XLogP of 3.60, 3 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)cyclooctanecarboxamide is sourced from PubChem (CID 107745413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).