N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide

C17H23N3O4 — CID 2960102

IUPACN-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O4/c21-17(18-14-4-2-1-3-5-14)13-6-7-15(16(12-13)20(22)23)19-8-10-24-11-9-19/h6-7,12,14H,1-5,8-11H2,(H,18,21)
InChIKeyYBPUXGDJQRCOMF-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.49
Rot. Bonds4

About N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide

N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2960102) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2960102
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O4/c21-17(18-14-4-2-1-3-5-14)13-6-7-15(16(12-13)20(22)23)19-8-10-24-11-9-19/h6-7,12,14H,1-5,8-11H2,(H,18,21)
InChIKeyYBPUXGDJQRCOMF-UHFFFAOYSA-N
XLogP2.49
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(1-adamantyl)-3-nitro-4-piperazin-1-ylbenzamide
CID 3646120
3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
CID 960419
N-[2-(4-morpholinylcarbonyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2211921
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
3-Nitro-4-[(2-phenylethyl)amino]benzamide
CID 2959722
5-(aziridin-1-yl)-N-(2-morpholin-4-ylethyl)-2,4-dinitrobenzamide
CID 9842042
5-(aziridin-1-yl)-N-(4-morpholin-4-ylbutyl)-2,4-dinitrobenzamide
CID 9865353
5-(aziridin-1-yl)-N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 11383396
N-(3-fluoro-4-methylphenyl)-4-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-nitrobenzamide
CID 16194192
4-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 44422654
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 743310
3-nitro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2452549

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide (CID 2960102) is N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide is O=C(NC1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is YBPUXGDJQRCOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-17(18-14-4-2-1-3-5-14)13-6-7-15(16(12-13)20(22)23)19-8-10-24-11-9-19/h6-7,12,14H,1-5,8-11H2,(H,18,21).
What are the key properties of N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide?
N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2960102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).