3,5-dimethyl-N-(4-oxocyclohexyl)benzamide

C15H19NO2 — CID 43652880

IUPAC3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO2/c1-10-7-11(2)9-12(8-10)15(18)16-13-3-5-14(17)6-4-13/h7-9,13H,3-6H2,1-2H3,(H,16,18)
InChIKeyHWRWBQCOQYVNBT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.54
Rot. Bonds2

About 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide

3,5-dimethyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652880) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
PubChem CID43652880
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO2/c1-10-7-11(2)9-12(8-10)15(18)16-13-3-5-14(17)6-4-13/h7-9,13H,3-6H2,1-2H3,(H,16,18)
InChIKeyHWRWBQCOQYVNBT-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652786
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
CID 138007304
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide (CID 43652880) is 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide is Cc1cc(C)cc(C(=O)NC2CCC(=O)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is HWRWBQCOQYVNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-7-11(2)9-12(8-10)15(18)16-13-3-5-14(17)6-4-13/h7-9,13H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 245.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).