(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone

C23H27NO2 — CID 171939135

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C23H27NO2/c1-24-20-8-5-9-21(24)15-19(14-20)23(25)18-10-12-22(13-11-18)26-16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3
InChIKeyCVIQKVYUDYBQIS-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.71
Rot. Bonds5

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone (PubChem CID 171939135) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
PubChem CID171939135
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C23H27NO2/c1-24-20-8-5-9-21(24)15-19(14-20)23(25)18-10-12-22(13-11-18)26-16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3
InChIKeyCVIQKVYUDYBQIS-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone with MolForge

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Related Compounds

benzyl 3-(4-phenylmethoxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939139
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
benzyl 3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949149
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942646
benzyl 3-(4-ethynylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944666
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
tert-butyl 3-(4-phenylmethoxybenzoyl)azetidine-1-carboxylate
CID 71014923
9H-fluoren-9-ylmethyl 3-(3-phenylmethoxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939113
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
methyl 1-cyclohexyl-3-methyl-2-(4-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-5-carboxylate
CID 142974070
benzyl 3-(3,5-dimethylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944764

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone (CID 171939135) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone is CN1C2CCCC1CC(C(=O)c1ccc(OCc3ccccc3)cc1)C2.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone?
The InChIKey is CVIQKVYUDYBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-24-20-8-5-9-21(24)15-19(14-20)23(25)18-10-12-22(13-11-18)26-16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 171939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).