N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide

C20H23N2O2+ — CID 7831592

IUPACN-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
SMILESO=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c23-20(21-19-14-22-12-10-15(19)11-13-22)16-6-8-18(9-7-16)24-17-4-2-1-3-5-17/h1-9,15,19H,10-14H2,(H,21,23)/p+1/t19-/m1/s1
InChIKeyINQFYMZPQQUPIU-LJQANCHMSA-O
MW323.42 g/mol
LogP1.89
Rot. Bonds4

About N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide

N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide (PubChem CID 7831592) has the molecular formula C20H23N2O2+ and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
PubChem CID7831592
Molecular FormulaC20H23N2O2+
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC NameN-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
SMILESO=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c23-20(21-19-14-22-12-10-15(19)11-13-22)16-6-8-18(9-7-16)24-17-4-2-1-3-5-17/h1-9,15,19H,10-14H2,(H,21,23)/p+1/t19-/m1/s1
InChIKeyINQFYMZPQQUPIU-LJQANCHMSA-O
XLogP1.89
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
4-phenoxybenzoyl bromide
CID 116924551
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860821
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide?
The IUPAC name of N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide (CID 7831592) is N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide is O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide?
The InChIKey is INQFYMZPQQUPIU-LJQANCHMSA-O. The full InChI is InChI=1S/C20H22N2O2/c23-20(21-19-14-22-12-10-15(19)11-13-22)16-6-8-18(9-7-16)24-17-4-2-1-3-5-17/h1-9,15,19H,10-14H2,(H,21,23)/p+1/t19-/m1/s1.
What are the key properties of N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide?
N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide has a molecular weight of 323.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide is sourced from PubChem (CID 7831592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).