1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide

C17H24N2O2 — CID 142685458

IUPAC1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc2c(c1)C(CCC1(C(N)=O)CCC1)CNC2
InChIInChI=1S/C17H24N2O2/c1-21-14-4-3-12-10-19-11-13(15(12)9-14)5-8-17(16(18)20)6-2-7-17/h3-4,9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20)
InChIKeyUGHQVGPJJXRJNJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide

1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 142685458) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID142685458
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc2c(c1)C(CCC1(C(N)=O)CCC1)CNC2
InChIInChI=1S/C17H24N2O2/c1-21-14-4-3-12-10-19-11-13(15(12)9-14)5-8-17(16(18)20)6-2-7-17/h3-4,9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20)
InChIKeyUGHQVGPJJXRJNJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide (CID 142685458) is 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide is COc1ccc2c(c1)C(CCC1(C(N)=O)CCC1)CNC2.
What is the InChIKey of 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is UGHQVGPJJXRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-14-4-3-12-10-19-11-13(15(12)9-14)5-8-17(16(18)20)6-2-7-17/h3-4,9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20).
What are the key properties of 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide?
1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 142685458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).