(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

C20H20N2O4 — CID 46229059

IUPAC(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
InChIInChI=1S/C20H20N2O4/c23-19(21-11-14-7-3-1-4-8-14)17-18-20(24)22(13-16(25-17)26-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,21,23)/t16-,17-,18-/m1/s1
InChIKeyFBHDKOZUHLXHLT-KZNAEPCWSA-N
MW352.39 g/mol
LogP1.46
Rot. Bonds5

About (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (PubChem CID 46229059) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.

Molecular Properties

Compound Name(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
PubChem CID46229059
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
InChIInChI=1S/C20H20N2O4/c23-19(21-11-14-7-3-1-4-8-14)17-18-20(24)22(13-16(25-17)26-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,21,23)/t16-,17-,18-/m1/s1
InChIKeyFBHDKOZUHLXHLT-KZNAEPCWSA-N
XLogP1.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The IUPAC name of (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (CID 46229059) is (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.
What is the SMILES notation for (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The canonical SMILES for (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is O=C(NCc1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2.
What is the InChIKey of (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The InChIKey is FBHDKOZUHLXHLT-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(21-11-14-7-3-1-4-8-14)17-18-20(24)22(13-16(25-17)26-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,21,23)/t16-,17-,18-/m1/s1.
What are the key properties of (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
(1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-N,3-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is sourced from PubChem (CID 46229059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).