3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide

C15H19NO3 — CID 43652834

IUPAC3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCC(=O)CC2)ccc1C
InChIInChI=1S/C15H19NO3/c1-10-3-4-11(9-14(10)19-2)15(18)16-12-5-7-13(17)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyGAMOPYOXQMMYQB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.25
Rot. Bonds3

About 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide

3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652834) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID43652834
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCC(=O)CC2)ccc1C
InChIInChI=1S/C15H19NO3/c1-10-3-4-11(9-14(10)19-2)15(18)16-12-5-7-13(17)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyGAMOPYOXQMMYQB-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide (CID 43652834) is 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide is COc1cc(C(=O)NC2CCC(=O)CC2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is GAMOPYOXQMMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-3-4-11(9-14(10)19-2)15(18)16-12-5-7-13(17)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide?
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).