N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide

C21H22N2O2 — CID 51095480

IUPACN-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
SMILESCCN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C)cc1C
InChIInChI=1S/C21H22N2O2/c1-4-23(18-10-9-15(2)13-16(18)3)21(25)14-22-12-11-20(24)17-7-5-6-8-19(17)22/h5-13H,4,14H2,1-3H3
InChIKeyUEICSOWZYWFBBC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.67
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide

N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 51095480) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID51095480
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
SMILESCCN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C)cc1C
InChIInChI=1S/C21H22N2O2/c1-4-23(18-10-9-15(2)13-16(18)3)21(25)14-22-12-11-20(24)17-7-5-6-8-19(17)22/h5-13H,4,14H2,1-3H3
InChIKeyUEICSOWZYWFBBC-UHFFFAOYSA-N
XLogP3.67
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide (CID 51095480) is N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide is CCN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is UEICSOWZYWFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-23(18-10-9-15(2)13-16(18)3)21(25)14-22-12-11-20(24)17-7-5-6-8-19(17)22/h5-13H,4,14H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide?
N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 51095480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).