N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C19H27FN2O2 — CID 3228809

IUPACN-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C19H27FN2O2/c1-18(2,3)21-17(23)12-22-15-8-9-16(22)11-19(24,10-15)13-4-6-14(20)7-5-13/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,23)
InChIKeyOWNHHIOBORKJLU-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.55
Rot. Bonds3

About N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 3228809) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID3228809
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C19H27FN2O2/c1-18(2,3)21-17(23)12-22-15-8-9-16(22)11-19(24,10-15)13-4-6-14(20)7-5-13/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,23)
InChIKeyOWNHHIOBORKJLU-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide with MolForge

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Related Compounds

2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
2-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3228776
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
1-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-1-one
CID 3230886
2-(4-Hydroxy-4-phenyl-piperidin-1-yl)-N-isopropyl-acetamide
CID 652677
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 3228760
1-[3-(2-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-1-one
CID 3230887
3-(3-Fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 45106463
1-[(3R,4R)-4-hydroxy-4-phenyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]-1-propanone
CID 87053357
1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]butan-1-one
CID 87053359

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 3228809) is N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is CC(C)(C)NC(=O)CN1C2CCC1CC(O)(c1ccc(F)cc1)C2.
What is the InChIKey of N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is OWNHHIOBORKJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-18(2,3)21-17(23)12-22-15-8-9-16(22)11-19(24,10-15)13-4-6-14(20)7-5-13/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 3228809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).