N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride

C28H31ClN2O3 — CID 73155028

IUPACN-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
SMILESCN1C2CCC1CC(Oc1cccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)c1)C2.Cl
InChIInChI=1S/C28H30N2O3.ClH/c1-30-22-12-13-23(30)18-27(17-22)33-26-9-5-6-20(16-26)19-29-28(31)21-10-14-25(15-11-21)32-24-7-3-2-4-8-24;/h2-11,14-16,22-23,27H,12-13,17-19H2,1H3,(H,29,31);1H
InChIKeyQFKCZNPFOWXNQN-UHFFFAOYSA-N
MW479.02 g/mol
LogP5.83
Rot. Bonds7

About N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride

N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride (PubChem CID 73155028) has the molecular formula C28H31ClN2O3 and a molecular weight of 479.02 g/mol. Its IUPAC name is N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
PubChem CID73155028
Molecular FormulaC28H31ClN2O3
Molecular Weight479.02 g/mol
Exact Mass478.20
IUPAC NameN-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
SMILESCN1C2CCC1CC(Oc1cccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)c1)C2.Cl
InChIInChI=1S/C28H30N2O3.ClH/c1-30-22-12-13-23(30)18-27(17-22)33-26-9-5-6-20(16-26)19-29-28(31)21-10-14-25(15-11-21)32-24-7-3-2-4-8-24;/h2-11,14-16,22-23,27H,12-13,17-19H2,1H3,(H,29,31);1H
InChIKeyQFKCZNPFOWXNQN-UHFFFAOYSA-N
XLogP5.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride with MolForge

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Related Compounds

N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500933
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 23728803
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
CID 68709089
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500929
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 69193811
N-[[3-[[(2R,4S,6R,8S)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-6-(4-methoxyphenyl)pyridine-3-carboxamide
CID 143500967
4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438650
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride?
The IUPAC name of N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride (CID 73155028) is N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride is CN1C2CCC1CC(Oc1cccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)c1)C2.Cl.
What is the InChIKey of N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride?
The InChIKey is QFKCZNPFOWXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3.ClH/c1-30-22-12-13-23(30)18-27(17-22)33-26-9-5-6-20(16-26)19-29-28(31)21-10-14-25(15-11-21)32-24-7-3-2-4-8-24;/h2-11,14-16,22-23,27H,12-13,17-19H2,1H3,(H,29,31);1H.
What are the key properties of N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride?
N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride has a molecular weight of 479.02 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 73155028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).