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

C13H23NO2 — CID 168788092

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO2/c1-12(2,3)11(15)14-9-8-6-7-16-10(8)13(9,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyACZJIEICZMXYSG-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds1

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

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide (PubChem CID 168788092) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide
PubChem CID168788092
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO2/c1-12(2,3)11(15)14-9-8-6-7-16-10(8)13(9,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyACZJIEICZMXYSG-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide (CID 168788092) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1C2CCOC2C1(C)C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide?
The InChIKey is ACZJIEICZMXYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)11(15)14-9-8-6-7-16-10(8)13(9,4)5/h8-10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 168788092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).