N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

C17H22N2O3 — CID 39768430

IUPACN-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C17H22N2O3/c1-11-7-13(3)17-14(8-11)12(2)9-16(21)19(17)10-15(20)18-5-6-22-4/h7-9H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyXQVVGAGCMAOYLQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.69
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (PubChem CID 39768430) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
PubChem CID39768430
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C17H22N2O3/c1-11-7-13(3)17-14(8-11)12(2)9-16(21)19(17)10-15(20)18-5-6-22-4/h7-9H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyXQVVGAGCMAOYLQ-UHFFFAOYSA-N
XLogP1.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (CID 39768430) is N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is COCCNC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21.
What is the InChIKey of N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The InChIKey is XQVVGAGCMAOYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-7-13(3)17-14(8-11)12(2)9-16(21)19(17)10-15(20)18-5-6-22-4/h7-9H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 39768430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).