N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide

C13H23NO — CID 42695218

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-13(2,3)8-12(15)14-11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyFONKHDQJMUMWHW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide

N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide (PubChem CID 42695218) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
PubChem CID42695218
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-13(2,3)8-12(15)14-11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyFONKHDQJMUMWHW-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide (CID 42695218) is N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The InChIKey is FONKHDQJMUMWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)8-12(15)14-11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide has a molecular weight of 209.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 42695218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).