2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

C21H25FN2O2 — CID 120882566

IUPAC2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C21H25FN2O2/c1-3-14(2)16-6-4-5-7-19(16)26-13-20(25)24-18-9-8-15-12-23-11-10-17(15)21(18)22/h4-9,14,23H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyULJBDHLUFMIKIG-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (PubChem CID 120882566) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
PubChem CID120882566
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C21H25FN2O2/c1-3-14(2)16-6-4-5-7-19(16)26-13-20(25)24-18-9-8-15-12-23-11-10-17(15)21(18)22/h4-9,14,23H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyULJBDHLUFMIKIG-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120884035
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120882354
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120883647
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
2-cyclopentyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120882311
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 938653
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (CID 120882566) is 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is CCC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The InChIKey is ULJBDHLUFMIKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-14(2)16-6-4-5-7-19(16)26-13-20(25)24-18-9-8-15-12-23-11-10-17(15)21(18)22/h4-9,14,23H,3,10-13H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide has a molecular weight of 356.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is sourced from PubChem (CID 120882566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).