3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C23H28N2O3 — CID 52942529

IUPAC3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCOc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)c1
InChIInChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22?/m1/s1
InChIKeyVAHPGMWAHQHAMJ-LEKKZIBYSA-N
MW380.49 g/mol
LogP3.93
Rot. Bonds6

About 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52942529) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52942529
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCOc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)c1
InChIInChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22?/m1/s1
InChIKeyVAHPGMWAHQHAMJ-LEKKZIBYSA-N
XLogP3.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide 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 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52942529) is 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is COc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)c1.
What is the InChIKey of 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is VAHPGMWAHQHAMJ-LEKKZIBYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22?/m1/s1.
What are the key properties of 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-[(1R)-1-(3-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52942529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).