3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C24H28N2O2 — CID 52950007

IUPAC3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3C2CCCc3ccccc32)c1
InChIInChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21?,23?
InChIKeyYLGCOVVLUSGKGA-UJKXBYJESA-N
MW376.50 g/mol
LogP4.24
Rot. Bonds4

About 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52950007) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52950007
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3C2CCCc3ccccc32)c1
InChIInChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21?,23?
InChIKeyYLGCOVVLUSGKGA-UJKXBYJESA-N
XLogP4.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52950007) is 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3C2CCCc3ccccc32)c1.
What is the InChIKey of 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is YLGCOVVLUSGKGA-UJKXBYJESA-N. The full InChI is InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21?,23?.
What are the key properties of 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52950007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).