N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide

C11H19NO — CID 129256410

IUPACN-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide
SMILESCC(=O)NC1C2CC1C2C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6(13)12-10-7-5-8(10)9(7)11(2,3)4/h7-10H,5H2,1-4H3,(H,12,13)
InChIKeyMFYCSTLPNDGGTK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.80
Rot. Bonds1

About N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide

N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 129256410) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide
PubChem CID129256410
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide
SMILESCC(=O)NC1C2CC1C2C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6(13)12-10-7-5-8(10)9(7)11(2,3)4/h7-10H,5H2,1-4H3,(H,12,13)
InChIKeyMFYCSTLPNDGGTK-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.80
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-2-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide (CID 129256410) is N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide is CC(=O)NC1C2CC1C2C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is MFYCSTLPNDGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6(13)12-10-7-5-8(10)9(7)11(2,3)4/h7-10H,5H2,1-4H3,(H,12,13).
What are the key properties of N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide?
N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 1.80, 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-2-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 129256410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).