N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide

C13H24N2O2 — CID 66210939

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H24N2O2/c1-7(2)8(3)13(16)15-11-10(14)9-5-4-6-17-12(9)11/h7-12H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyGJUZOCFTLYMPKQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.90
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide (PubChem CID 66210939) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide
PubChem CID66210939
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H24N2O2/c1-7(2)8(3)13(16)15-11-10(14)9-5-4-6-17-12(9)11/h7-12H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyGJUZOCFTLYMPKQ-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide 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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide (CID 66210939) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide?
The InChIKey is GJUZOCFTLYMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7(2)8(3)13(16)15-11-10(14)9-5-4-6-17-12(9)11/h7-12H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide has a molecular weight of 240.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 66210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).