2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide

C15H20N2O2 — CID 119945623

IUPAC2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
SMILESCC1(C)C(NC(=O)c2ccccc2N)C2CCOC21
InChIInChI=1S/C15H20N2O2/c1-15(2)12(10-7-8-19-13(10)15)17-14(18)9-5-3-4-6-11(9)16/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYQBFUQAISQXQGC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide

2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide (PubChem CID 119945623) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
PubChem CID119945623
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
SMILESCC1(C)C(NC(=O)c2ccccc2N)C2CCOC21
InChIInChI=1S/C15H20N2O2/c1-15(2)12(10-7-8-19-13(10)15)17-14(18)9-5-3-4-6-11(9)16/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYQBFUQAISQXQGC-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide 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 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide?
The IUPAC name of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide (CID 119945623) is 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide.
What is the SMILES notation for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide?
The canonical SMILES for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide is CC1(C)C(NC(=O)c2ccccc2N)C2CCOC21.
What is the InChIKey of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide?
The InChIKey is YQBFUQAISQXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)12(10-7-8-19-13(10)15)17-14(18)9-5-3-4-6-11(9)16/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide?
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide is sourced from PubChem (CID 119945623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).