4-(3-methylcyclohexyl)benzamide

C14H19NO — CID 54069897

IUPAC4-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H19NO/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h5-8,10,13H,2-4,9H2,1H3,(H2,15,16)
InChIKeyMFRIUPVFIWSLFF-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.08
Rot. Bonds2

About 4-(3-methylcyclohexyl)benzamide

4-(3-methylcyclohexyl)benzamide (PubChem CID 54069897) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)benzamide
PubChem CID54069897
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H19NO/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h5-8,10,13H,2-4,9H2,1H3,(H2,15,16)
InChIKeyMFRIUPVFIWSLFF-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833
1-ethenyl-4-(3-methylcyclohexyl)benzene
CID 145419029
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline
CID 125449693
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide
CID 121330510
ethyl 4-(3-aminocyclohexyl)benzoate;hydrochloride
CID 171338367
2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)benzamide?
The IUPAC name of 4-(3-methylcyclohexyl)benzamide (CID 54069897) is 4-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(3-methylcyclohexyl)benzamide is CC1CCCC(c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)benzamide?
The InChIKey is MFRIUPVFIWSLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h5-8,10,13H,2-4,9H2,1H3,(H2,15,16).
What are the key properties of 4-(3-methylcyclohexyl)benzamide?
4-(3-methylcyclohexyl)benzamide has a molecular weight of 217.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 54069897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).