N-(2-adamantyl)-3,5-dimethylbenzamide

C19H25NO — CID 923702

IUPACN-(2-adamantyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H25NO/c1-11-3-12(2)5-17(4-11)19(21)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18H,6-10H2,1-2H3,(H,20,21)
InChIKeyBSQBATKONDIUJS-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.86
Rot. Bonds2

About N-(2-adamantyl)-3,5-dimethylbenzamide

N-(2-adamantyl)-3,5-dimethylbenzamide (PubChem CID 923702) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(2-adamantyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3,5-dimethylbenzamide
PubChem CID923702
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(2-adamantyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H25NO/c1-11-3-12(2)5-17(4-11)19(21)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18H,6-10H2,1-2H3,(H,20,21)
InChIKeyBSQBATKONDIUJS-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
CID 78798957
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-(2-adamantyl)thiophene-3-carboxamide
CID 24555583
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
N-(2-adamantyl)-3-benzamido-4-methylbenzamide
CID 78862723
N-(2-adamantyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86906952
N-(2-adamantyl)-4-formamidobenzamide
CID 168651287
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-(2-adamantyl)-4,5-dimethylbenzamide
CID 11677458
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2-adamantyl)-3,5-dimethylbenzamide (CID 923702) is N-(2-adamantyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-adamantyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-adamantyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(2-adamantyl)-3,5-dimethylbenzamide?
The InChIKey is BSQBATKONDIUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-11-3-12(2)5-17(4-11)19(21)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18H,6-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-adamantyl)-3,5-dimethylbenzamide?
N-(2-adamantyl)-3,5-dimethylbenzamide has a molecular weight of 283.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 923702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).