N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide

C18H24N2O — CID 62539335

IUPACN-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C#N)C2CCCCC2)c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-14(2)16(10-13)11-18(21)20-17(12-19)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyYATWVBRZJUQMKS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.43
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide

N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62539335) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID62539335
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C#N)C2CCCCC2)c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-14(2)16(10-13)11-18(21)20-17(12-19)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyYATWVBRZJUQMKS-UHFFFAOYSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
CID 63821795
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 81362904
1-[cyano(cyclohexyl)methyl]-3-(3-methylphenyl)urea
CID 60969768
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
3-chloro-N-[cyano(cyclohexyl)methyl]-5-methylbenzamide
CID 81001939

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide (CID 62539335) is N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC(C#N)C2CCCCC2)c1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is YATWVBRZJUQMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-9-14(2)16(10-13)11-18(21)20-17(12-19)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11H2,1-2H3,(H,20,21).
What are the key properties of N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62539335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).