2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide

C16H29NO — CID 22082200

IUPAC2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide
SMILESCCC(C)(C)C(=O)NC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C16H29NO/c1-7-15(3,4)14(18)17-13-9-11-8-12(10(13)2)16(11,5)6/h10-13H,7-9H2,1-6H3,(H,17,18)
InChIKeyLYFXLBJCXDXFNA-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide

2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide (PubChem CID 22082200) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide
PubChem CID22082200
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide
SMILESCCC(C)(C)C(=O)NC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C16H29NO/c1-7-15(3,4)14(18)17-13-9-11-8-12(10(13)2)16(11,5)6/h10-13H,7-9H2,1-6H3,(H,17,18)
InChIKeyLYFXLBJCXDXFNA-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide (CID 22082200) is 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide is CCC(C)(C)C(=O)NC1CC2CC(C1C)C2(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide?
The InChIKey is LYFXLBJCXDXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-15(3,4)14(18)17-13-9-11-8-12(10(13)2)16(11,5)6/h10-13H,7-9H2,1-6H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide?
2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide has a molecular weight of 251.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide is sourced from PubChem (CID 22082200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).