2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide

C13H18N2O2 — CID 81423062

IUPAC2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
SMILESCOCC(=O)NCc1cccc2c1NCCC2
InChIInChI=1S/C13H18N2O2/c1-17-9-12(16)15-8-11-5-2-4-10-6-3-7-14-13(10)11/h2,4-5,14H,3,6-9H2,1H3,(H,15,16)
InChIKeyJFSCHZOIJGBQJZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.31
Rot. Bonds4

About 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide

2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide (PubChem CID 81423062) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
PubChem CID81423062
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
SMILESCOCC(=O)NCc1cccc2c1NCCC2
InChIInChI=1S/C13H18N2O2/c1-17-9-12(16)15-8-11-5-2-4-10-6-3-7-14-13(10)11/h2,4-5,14H,3,6-9H2,1H3,(H,15,16)
InChIKeyJFSCHZOIJGBQJZ-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide (CID 81423062) is 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide is COCC(=O)NCc1cccc2c1NCCC2.
What is the InChIKey of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide?
The InChIKey is JFSCHZOIJGBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-12(16)15-8-11-5-2-4-10-6-3-7-14-13(10)11/h2,4-5,14H,3,6-9H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide?
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide is sourced from PubChem (CID 81423062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).