3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide

C15H20N2O3 — CID 46799090

IUPAC3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)NC2CCCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)16-15(18)12-7-8-14(17(19)20)11(2)9-12/h7-10,13H,3-6H2,1-2H3,(H,16,18)
InChIKeyKPDIWBXHFQSLCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide

3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide (PubChem CID 46799090) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
PubChem CID46799090
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)NC2CCCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)16-15(18)12-7-8-14(17(19)20)11(2)9-12/h7-10,13H,3-6H2,1-2H3,(H,16,18)
InChIKeyKPDIWBXHFQSLCX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8013496
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide (CID 46799090) is 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide is Cc1cc(C(=O)NC2CCCCC2C)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The InChIKey is KPDIWBXHFQSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)16-15(18)12-7-8-14(17(19)20)11(2)9-12/h7-10,13H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide has a molecular weight of 276.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 46799090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).