N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide

C22H24N2O4 — CID 43817682

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESO=C(CN1C2CCC1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c25-21(23-16-6-9-19-20(10-16)28-14-27-19)13-24-17-7-8-18(24)12-22(26,11-17)15-4-2-1-3-5-15/h1-6,9-10,17-18,26H,7-8,11-14H2,(H,23,25)
InChIKeyPMSVJCFHGSMZLK-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.87
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide (PubChem CID 43817682) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide
PubChem CID43817682
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESO=C(CN1C2CCC1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c25-21(23-16-6-9-19-20(10-16)28-14-27-19)13-24-17-7-8-18(24)12-22(26,11-17)15-4-2-1-3-5-15/h1-6,9-10,17-18,26H,7-8,11-14H2,(H,23,25)
InChIKeyPMSVJCFHGSMZLK-UHFFFAOYSA-N
XLogP2.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide (CID 43817682) is N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide is O=C(CN1C2CCC1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The InChIKey is PMSVJCFHGSMZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(23-16-6-9-19-20(10-16)28-14-27-19)13-24-17-7-8-18(24)12-22(26,11-17)15-4-2-1-3-5-15/h1-6,9-10,17-18,26H,7-8,11-14H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide is sourced from PubChem (CID 43817682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).