2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide

C17H24N2O4 — CID 101094678

IUPAC2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-12(2)11-18-17(20)15-10-13(19(21)22)8-9-16(15)23-14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyVIQLHQAWSAHVTN-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.69
Rot. Bonds6

About 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide

2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide (PubChem CID 101094678) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
PubChem CID101094678
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-12(2)11-18-17(20)15-10-13(19(21)22)8-9-16(15)23-14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyVIQLHQAWSAHVTN-UHFFFAOYSA-N
XLogP3.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide?
The IUPAC name of 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide (CID 101094678) is 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide?
The canonical SMILES for 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide is CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide?
The InChIKey is VIQLHQAWSAHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)11-18-17(20)15-10-13(19(21)22)8-9-16(15)23-14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide?
2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide has a molecular weight of 320.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide is sourced from PubChem (CID 101094678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).