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

C21H22N2O4 — CID 46229063

IUPAC(1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESCC(NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(16-10-6-3-7-11-16)22-20(24)18-19-21(25)23(13-17(26-18)27-19)12-15-8-4-2-5-9-15/h2-11,14,17-19H,12-13H2,1H3,(H,22,24)/t14?,17-,18-,19-/m1/s1
InChIKeyWBWDGNPJJLVXMO-LEWXTWDNSA-N
MW366.42 g/mol
LogP2.02
Rot. Bonds5

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

(1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (PubChem CID 46229063) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.

Molecular Properties

Compound Name(1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
PubChem CID46229063
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESCC(NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(16-10-6-3-7-11-16)22-20(24)18-19-21(25)23(13-17(26-18)27-19)12-15-8-4-2-5-9-15/h2-11,14,17-19H,12-13H2,1H3,(H,22,24)/t14?,17-,18-,19-/m1/s1
InChIKeyWBWDGNPJJLVXMO-LEWXTWDNSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The IUPAC name of (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (CID 46229063) is (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.
What is the SMILES notation for (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The canonical SMILES for (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is CC(NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)c1ccccc1.
What is the InChIKey of (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The InChIKey is WBWDGNPJJLVXMO-LEWXTWDNSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(16-10-6-3-7-11-16)22-20(24)18-19-21(25)23(13-17(26-18)27-19)12-15-8-4-2-5-9-15/h2-11,14,17-19H,12-13H2,1H3,(H,22,24)/t14?,17-,18-,19-/m1/s1.
What are the key properties of (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
(1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-3-benzyl-2-oxo-N-(1-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is sourced from PubChem (CID 46229063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).