N-(1-adamantyl)-2,5-dimethylbenzamide

C19H25NO — CID 7732516

IUPACN-(1-adamantyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO/c1-12-3-4-13(2)17(5-12)18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3,(H,20,21)
InChIKeyZKNGZKZFTMYEPI-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.00
Rot. Bonds2

About N-(1-adamantyl)-2,5-dimethylbenzamide

N-(1-adamantyl)-2,5-dimethylbenzamide (PubChem CID 7732516) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,5-dimethylbenzamide
PubChem CID7732516
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(1-adamantyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO/c1-12-3-4-13(2)17(5-12)18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3,(H,20,21)
InChIKeyZKNGZKZFTMYEPI-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
[2-(1-adamantylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535361
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
N-(1-adamantyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 7732546
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
CID 43008919
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N',2,5-trimethylbenzohydrazide
CID 116846828
N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663910
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-adamantyl)-2,5-dimethylbenzamide (CID 7732516) is N-(1-adamantyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-adamantyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2,5-dimethylbenzamide?
The InChIKey is ZKNGZKZFTMYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-3-4-13(2)17(5-12)18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-2,5-dimethylbenzamide?
N-(1-adamantyl)-2,5-dimethylbenzamide has a molecular weight of 283.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 7732516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).