4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide

C14H19N3O4 — CID 76934909

IUPAC4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1ccc(OC2CCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c15-14(16-18)10-7-8-13(12(9-10)17(19)20)21-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,15,16)
InChIKeyOGTDYJJTMVSCGQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.79
Rot. Bonds4

About 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide

4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 76934909) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID76934909
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1ccc(OC2CCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c15-14(16-18)10-7-8-13(12(9-10)17(19)20)21-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,15,16)
InChIKeyOGTDYJJTMVSCGQ-UHFFFAOYSA-N
XLogP2.79
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 80695376
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
4-(azocan-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935316
N'-hydroxy-4-(2-methylbutan-2-yloxy)-3-nitrobenzenecarboximidamide
CID 76935052
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
3-nitro-4-(3-oxocyclopentyl)oxybenzamide
CID 79643110

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 76934909) is 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide is NC(=NO)c1ccc(OC2CCCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is OGTDYJJTMVSCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-14(16-18)10-7-8-13(12(9-10)17(19)20)21-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,15,16).
What are the key properties of 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide?
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 293.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 76934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).