N-(1-adamantyl)-2,2-dimethylpropanamide

C15H25NO — CID 4271592

IUPACN-(1-adamantyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyANZPVMVVRHNTHS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds1

About N-(1-adamantyl)-2,2-dimethylpropanamide

N-(1-adamantyl)-2,2-dimethylpropanamide (PubChem CID 4271592) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-dimethylpropanamide
PubChem CID4271592
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(1-adamantyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyANZPVMVVRHNTHS-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Acetamidoadamantane
CID 64153
N-(3,5-dimethyl-1-adamantyl)acetamide
CID 5276209
Dodecanoic acid adamantan-1-ylamide
CID 5071820
1,3-Bis(acetylamino)adamantane
CID 2817797
N-1-adamantyl-3-methoxypropanamide
CID 585548
N-1-adamantyl-2-ethylbutanamide
CID 2897926
Cambridge id 5346749
CID 2842691
N-(1-adamantyl)adamantane-1-carboxamide
CID 5137726
N-(1-adamantyl)-2,2,2-trifluoroacetamide
CID 331262
Acetamide, 2-mercapto-N-(1-adamantyl)-
CID 584968
Butyramide, N-(1-adamantyl)-4-(dimethylamino)-
CID 35404
Valeramide, N-(1-adamantyl)-
CID 64157

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-adamantyl)-2,2-dimethylpropanamide (CID 4271592) is N-(1-adamantyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-adamantyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2,2-dimethylpropanamide?
The InChIKey is ANZPVMVVRHNTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1-adamantyl)-2,2-dimethylpropanamide?
N-(1-adamantyl)-2,2-dimethylpropanamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 1 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-dimethylpropanamide is sourced from PubChem (CID 4271592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).