N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide

C15H20N2O3 — CID 3684866

IUPACN-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C15H20N2O3/c1-10-4-3-5-14(11(10)2)16-15(18)12-6-8-13(9-7-12)17(19)20/h6-11,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyYNVAQOXIURTABG-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.15
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide

N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide (PubChem CID 3684866) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
PubChem CID3684866
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C15H20N2O3/c1-10-4-3-5-14(11(10)2)16-15(18)12-6-8-13(9-7-12)17(19)20/h6-11,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyYNVAQOXIURTABG-UHFFFAOYSA-N
XLogP3.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[(4-nitrobenzoyl)amino]thiourea
CID 11946097
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide (CID 3684866) is N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide is CC1CCCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide?
The InChIKey is YNVAQOXIURTABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-3-5-14(11(10)2)16-15(18)12-6-8-13(9-7-12)17(19)20/h6-11,14H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide?
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide has a molecular weight of 276.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 3684866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).