2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide

C29H30N4O3 — CID 50747318

IUPAC2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1C)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21
InChIInChI=1S/C29H30N4O3/c1-6-25(28(35)32-22-13-11-17(2)15-19(22)4)33-26-10-8-7-9-24(26)31-27(29(33)36)21-16-18(3)12-14-23(21)30-20(5)34/h7-16,25H,6H2,1-5H3,(H,30,34)(H,32,35)
InChIKeyUGPFIBSORDQVSI-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.54
Rot. Bonds6

About 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide

2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide (PubChem CID 50747318) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
PubChem CID50747318
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1C)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21
InChIInChI=1S/C29H30N4O3/c1-6-25(28(35)32-22-13-11-17(2)15-19(22)4)33-26-10-8-7-9-24(26)31-27(29(33)36)21-16-18(3)12-14-23(21)30-20(5)34/h7-16,25H,6H2,1-5H3,(H,30,34)(H,32,35)
InChIKeyUGPFIBSORDQVSI-UHFFFAOYSA-N
XLogP5.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 92736202
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 92736205
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
CID 50747281
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
CID 92736195
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide?
The IUPAC name of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide (CID 50747318) is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide is CCC(C(=O)Nc1ccc(C)cc1C)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21.
What is the InChIKey of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide?
The InChIKey is UGPFIBSORDQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-6-25(28(35)32-22-13-11-17(2)15-19(22)4)33-26-10-8-7-9-24(26)31-27(29(33)36)21-16-18(3)12-14-23(21)30-20(5)34/h7-16,25H,6H2,1-5H3,(H,30,34)(H,32,35).
What are the key properties of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide?
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide has a molecular weight of 482.58 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 50747318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).