3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide

C13H24N2O2 — CID 64863517

IUPAC3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O2/c1-13(2)11(9-6-8-17-12(9)13)14-7-5-10(16)15(3)4/h9,11-12,14H,5-8H2,1-4H3
InChIKeyWUYLZPQTVWPBJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds4

About 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide

3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide (PubChem CID 64863517) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide
PubChem CID64863517
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O2/c1-13(2)11(9-6-8-17-12(9)13)14-7-5-10(16)15(3)4/h9,11-12,14H,5-8H2,1-4H3
InChIKeyWUYLZPQTVWPBJE-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide (CID 64863517) is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC1C2CCOC2C1(C)C.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is WUYLZPQTVWPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)11(9-6-8-17-12(9)13)14-7-5-10(16)15(3)4/h9,11-12,14H,5-8H2,1-4H3.
What are the key properties of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide?
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 64863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).