N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide

C23H26N4O5 — CID 25162236

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1OCC
InChIInChI=1S/C23H26N4O5/c1-4-31-19-11-10-16(12-20(19)32-5-2)25-21(28)14-26(3)23(30)15-27-18-9-7-6-8-17(18)24-13-22(27)29/h6-13H,4-5,14-15H2,1-3H3,(H,25,28)
InChIKeyGKURGXWVNJYEOE-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.29
Rot. Bonds9

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 25162236) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID25162236
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1OCC
InChIInChI=1S/C23H26N4O5/c1-4-31-19-11-10-16(12-20(19)32-5-2)25-21(28)14-26(3)23(30)15-27-18-9-7-6-8-17(18)24-13-22(27)29/h6-13H,4-5,14-15H2,1-3H3,(H,25,28)
InChIKeyGKURGXWVNJYEOE-UHFFFAOYSA-N
XLogP2.29
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide (CID 25162236) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide is CCOc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is GKURGXWVNJYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-4-31-19-11-10-16(12-20(19)32-5-2)25-21(28)14-26(3)23(30)15-27-18-9-7-6-8-17(18)24-13-22(27)29/h6-13H,4-5,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 438.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 25162236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).