N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide

C14H24N2O3 — CID 71869653

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide
SMILESCC1(C)C(NC(=O)N2CCOCC2)C2CCCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(10-4-3-7-19-12(10)14)15-13(17)16-5-8-18-9-6-16/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeySHAQUKQMPYFEPJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds1

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide (PubChem CID 71869653) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide
PubChem CID71869653
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide
SMILESCC1(C)C(NC(=O)N2CCOCC2)C2CCCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(10-4-3-7-19-12(10)14)15-13(17)16-5-8-18-9-6-16/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeySHAQUKQMPYFEPJ-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide (CID 71869653) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide is CC1(C)C(NC(=O)N2CCOCC2)C2CCCOC21.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide?
The InChIKey is SHAQUKQMPYFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)11(10-4-3-7-19-12(10)14)15-13(17)16-5-8-18-9-6-16/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide is sourced from PubChem (CID 71869653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).