N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide

C12H21NO — CID 58455704

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-8(2)12(14)13-11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyNJJGQVKCAZWKGH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide

N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide (PubChem CID 58455704) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide
PubChem CID58455704
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-8(2)12(14)13-11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyNJJGQVKCAZWKGH-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide (CID 58455704) is N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide is CCC(C)C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide?
The InChIKey is NJJGQVKCAZWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8(2)12(14)13-11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-methylbutanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 3 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)-2-methylbutanamide is sourced from PubChem (CID 58455704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).