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

C12H22N2O2 — CID 66210754

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O2/c1-7(2)6-9(15)14-11-10(13)8-4-3-5-16-12(8)11/h7-8,10-12H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyLPMNFDNWMDBCHI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.65
Rot. Bonds3

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide (PubChem CID 66210754) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide
PubChem CID66210754
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O2/c1-7(2)6-9(15)14-11-10(13)8-4-3-5-16-12(8)11/h7-8,10-12H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyLPMNFDNWMDBCHI-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide (CID 66210754) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide is CC(C)CC(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide?
The InChIKey is LPMNFDNWMDBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7(2)6-9(15)14-11-10(13)8-4-3-5-16-12(8)11/h7-8,10-12H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.65, 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)-3-methylbutanamide is sourced from PubChem (CID 66210754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).