N-(4-tert-butyl-1-adamantyl)acetamide

C16H27NO — CID 134195291

IUPACN-(4-tert-butyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2
InChIInChI=1S/C16H27NO/c1-10(18)17-16-7-11-5-12(8-16)14(15(2,3)4)13(6-11)9-16/h11-14H,5-9H2,1-4H3,(H,17,18)
InChIKeyFBSQIKLMEOLLMJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.36
Rot. Bonds1

About N-(4-tert-butyl-1-adamantyl)acetamide

N-(4-tert-butyl-1-adamantyl)acetamide (PubChem CID 134195291) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-adamantyl)acetamide
PubChem CID134195291
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(4-tert-butyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2
InChIInChI=1S/C16H27NO/c1-10(18)17-16-7-11-5-12(8-16)14(15(2,3)4)13(6-11)9-16/h11-14H,5-9H2,1-4H3,(H,17,18)
InChIKeyFBSQIKLMEOLLMJ-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-adamantyl)acetamide?
The IUPAC name of N-(4-tert-butyl-1-adamantyl)acetamide (CID 134195291) is N-(4-tert-butyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1-adamantyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2.
What is the InChIKey of N-(4-tert-butyl-1-adamantyl)acetamide?
The InChIKey is FBSQIKLMEOLLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-10(18)17-16-7-11-5-12(8-16)14(15(2,3)4)13(6-11)9-16/h11-14H,5-9H2,1-4H3,(H,17,18).
What are the key properties of N-(4-tert-butyl-1-adamantyl)acetamide?
N-(4-tert-butyl-1-adamantyl)acetamide has a molecular weight of 249.40 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-adamantyl)acetamide is sourced from PubChem (CID 134195291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).