N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C20H24N2O2 — CID 119051730

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(NC1CC2CCC1O2)N1C2C=C(c3ccccc3)CC1CC2
InChIInChI=1S/C20H24N2O2/c23-20(21-18-12-17-8-9-19(18)24-17)22-15-6-7-16(22)11-14(10-15)13-4-2-1-3-5-13/h1-5,10,15-19H,6-9,11-12H2,(H,21,23)
InChIKeyPADDQOFYIZCWGA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 119051730) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID119051730
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(NC1CC2CCC1O2)N1C2C=C(c3ccccc3)CC1CC2
InChIInChI=1S/C20H24N2O2/c23-20(21-18-12-17-8-9-19(18)24-17)22-15-6-7-16(22)11-14(10-15)13-4-2-1-3-5-13/h1-5,10,15-19H,6-9,11-12H2,(H,21,23)
InChIKeyPADDQOFYIZCWGA-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 119051730) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is O=C(NC1CC2CCC1O2)N1C2C=C(c3ccccc3)CC1CC2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is PADDQOFYIZCWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(21-18-12-17-8-9-19(18)24-17)22-15-6-7-16(22)11-14(10-15)13-4-2-1-3-5-13/h1-5,10,15-19H,6-9,11-12H2,(H,21,23).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 119051730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).