N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide

C13H23NO — CID 4147901

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-8(2)13(15)14-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7H2,1-3H3,(H,14,15)
InChIKeyGVFIIUBNCJRDSI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide (PubChem CID 4147901) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide
PubChem CID4147901
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-8(2)13(15)14-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7H2,1-3H3,(H,14,15)
InChIKeyGVFIIUBNCJRDSI-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide (CID 4147901) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide?
The InChIKey is GVFIIUBNCJRDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)13(15)14-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide has a molecular weight of 209.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 4147901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).