2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide

C16H21NO2 — CID 43652786

IUPAC2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C16H21NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-4-6-14(18)7-5-13/h8-9,13H,4-7H2,1-3H3,(H,17,19)
InChIKeyWCLAKHWNXJGAIU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.85
Rot. Bonds2

About 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide

2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652786) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide
PubChem CID43652786
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C16H21NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-4-6-14(18)7-5-13/h8-9,13H,4-7H2,1-3H3,(H,17,19)
InChIKeyWCLAKHWNXJGAIU-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
N-cyclohexyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 793898
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 114023828
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide (CID 43652786) is 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide is Cc1cc(C)c(C(=O)NC2CCC(=O)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is WCLAKHWNXJGAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-4-6-14(18)7-5-13/h8-9,13H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide?
2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 259.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).