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

C22H26N2O2 — CID 52947735

IUPAC3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccccc1CN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21?
InChIKeyIQNJFMKUOZAASF-PMSBKCLSSA-N
MW350.46 g/mol
LogP3.67
Rot. Bonds5

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

3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52947735) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52947735
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccccc1CN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21?
InChIKeyIQNJFMKUOZAASF-PMSBKCLSSA-N
XLogP3.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide with MolForge

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Related Compounds

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(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
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A-349821 free base
CID 9954017
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CID 44275807
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CID 53257621
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Morpholino(3-phenoxyphenyl)methanone
CID 6465484
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CID 52946209
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CID 10709505

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52947735) is 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is Cc1ccccc1CN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2.
What is the InChIKey of 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is IQNJFMKUOZAASF-PMSBKCLSSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21?.
What are the key properties of 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52947735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).