N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide

C20H27NO — CID 92682215

IUPACN-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO/c1-13-3-4-14(2)18(5-13)9-19(22)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17H,6-12H2,1-2H3,(H,21,22)
InChIKeyPOJBFWNWQYPWBY-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.93
Rot. Bonds3

About N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide

N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 92682215) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID92682215
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO/c1-13-3-4-14(2)18(5-13)9-19(22)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17H,6-12H2,1-2H3,(H,21,22)
InChIKeyPOJBFWNWQYPWBY-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
[2-(1-adamantylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535361
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
[2-(1-adamantylamino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805268
N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663910
2-[(1-adamantylamino)methyl]-4-methylphenol
CID 63323320
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304114
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
(2,5-dimethylphenyl)methyl 3-acetamidoadamantane-1-carboxylate
CID 55328213
1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
CID 63410825
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide (CID 92682215) is N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is POJBFWNWQYPWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-13-3-4-14(2)18(5-13)9-19(22)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17H,6-12H2,1-2H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide?
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 92682215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).