2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide

C18H20N2O2 — CID 43825934

IUPAC2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
SMILESCC1CCc2cccc(OCC(=O)Nc3ccccc3)c2N1
InChIInChI=1S/C18H20N2O2/c1-13-10-11-14-6-5-9-16(18(14)19-13)22-12-17(21)20-15-7-3-2-4-8-15/h2-9,13,19H,10-12H2,1H3,(H,20,21)
InChIKeyCRBZIHJWZZRLAS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds4

About 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide

2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide (PubChem CID 43825934) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
PubChem CID43825934
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
SMILESCC1CCc2cccc(OCC(=O)Nc3ccccc3)c2N1
InChIInChI=1S/C18H20N2O2/c1-13-10-11-14-6-5-9-16(18(14)19-13)22-12-17(21)20-15-7-3-2-4-8-15/h2-9,13,19H,10-12H2,1H3,(H,20,21)
InChIKeyCRBZIHJWZZRLAS-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide?
The IUPAC name of 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide (CID 43825934) is 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide?
The canonical SMILES for 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide is CC1CCc2cccc(OCC(=O)Nc3ccccc3)c2N1.
What is the InChIKey of 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide?
The InChIKey is CRBZIHJWZZRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-10-11-14-6-5-9-16(18(14)19-13)22-12-17(21)20-15-7-3-2-4-8-15/h2-9,13,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide?
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide has a molecular weight of 296.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide is sourced from PubChem (CID 43825934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).