2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

C14H20N2O2 — CID 112602533

IUPAC2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESCC(C)OCC(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C14H20N2O2/c1-10(2)18-9-14(17)16-13-5-3-4-11-6-7-15-8-12(11)13/h3-5,10,15H,6-9H2,1-2H3,(H,16,17)
InChIKeyFLYWYNGAYKNKFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds4

About 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (PubChem CID 112602533) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
PubChem CID112602533
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESCC(C)OCC(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C14H20N2O2/c1-10(2)18-9-14(17)16-13-5-3-4-11-6-7-15-8-12(11)13/h3-5,10,15H,6-9H2,1-2H3,(H,16,17)
InChIKeyFLYWYNGAYKNKFY-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 114490988
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The IUPAC name of 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (CID 112602533) is 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is CC(C)OCC(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The InChIKey is FLYWYNGAYKNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-9-14(17)16-13-5-3-4-11-6-7-15-8-12(11)13/h3-5,10,15H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is sourced from PubChem (CID 112602533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).