N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide

C12H21NO — CID 58682998

IUPACN-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC2CCC1C2
InChIInChI=1S/C12H21NO/c1-8(2)12(14)13-11-6-4-9-3-5-10(11)7-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyPSFYAJANWYBRRR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds2

About N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide

N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide (PubChem CID 58682998) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide
PubChem CID58682998
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC2CCC1C2
InChIInChI=1S/C12H21NO/c1-8(2)12(14)13-11-6-4-9-3-5-10(11)7-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyPSFYAJANWYBRRR-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide?
The IUPAC name of N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide (CID 58682998) is N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide?
The canonical SMILES for N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide is CC(C)C(=O)NC1CCC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide?
The InChIKey is PSFYAJANWYBRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)12(14)13-11-6-4-9-3-5-10(11)7-9/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide?
N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide is sourced from PubChem (CID 58682998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).