N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

C17H22N2O3 — CID 20861798

IUPACN-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCCCN(C)C(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-4-5-10-18(2)17(21)12-22-15-11-16(20)19(3)14-9-7-6-8-13(14)15/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyZGUNAAYXTHHCLN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.18
Rot. Bonds6

About N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 20861798) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID20861798
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCCCN(C)C(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-4-5-10-18(2)17(21)12-22-15-11-16(20)19(3)14-9-7-6-8-13(14)15/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyZGUNAAYXTHHCLN-UHFFFAOYSA-N
XLogP2.18
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 20861798) is N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CCCCN(C)C(=O)COc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is ZGUNAAYXTHHCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-5-10-18(2)17(21)12-22-15-11-16(20)19(3)14-9-7-6-8-13(14)15/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 302.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 20861798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).