2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide

C17H25NO — CID 18157580

IUPAC2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCCCC2C)cc1C
InChIInChI=1S/C17H25NO/c1-12-8-9-15(10-14(12)3)11-17(19)18-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyPIMBOFFQTAYUNY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide

2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 18157580) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
PubChem CID18157580
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCCCC2C)cc1C
InChIInChI=1S/C17H25NO/c1-12-8-9-15(10-14(12)3)11-17(19)18-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyPIMBOFFQTAYUNY-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527180
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 11907724
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
2-(1H-indol-5-yl)-N-(2-methylcyclohexyl)acetamide
CID 84577838
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide (CID 18157580) is 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide is Cc1ccc(CC(=O)NC2CCCCC2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is PIMBOFFQTAYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-9-15(10-14(12)3)11-17(19)18-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide?
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 259.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 18157580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).