2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

C24H27N3O4 — CID 50928871

IUPAC2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)NC(C)CCc2ccccc2)c(=O)c1=O
InChIInChI=1S/C24H27N3O4/c1-3-31-21-12-8-7-11-20(21)27-16-15-26(23(29)24(27)30)17-22(28)25-18(2)13-14-19-9-5-4-6-10-19/h4-12,15-16,18H,3,13-14,17H2,1-2H3,(H,25,28)
InChIKeyYDZPBCPMKXXNED-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.54
Rot. Bonds9

About 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 50928871) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID50928871
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)NC(C)CCc2ccccc2)c(=O)c1=O
InChIInChI=1S/C24H27N3O4/c1-3-31-21-12-8-7-11-20(21)27-16-15-26(23(29)24(27)30)17-22(28)25-18(2)13-14-19-9-5-4-6-10-19/h4-12,15-16,18H,3,13-14,17H2,1-2H3,(H,25,28)
InChIKeyYDZPBCPMKXXNED-UHFFFAOYSA-N
XLogP2.54
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 50928882
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
2-(2-benzylidene-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4301073
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 50928871) is 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is CCOc1ccccc1-n1ccn(CC(=O)NC(C)CCc2ccccc2)c(=O)c1=O.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is YDZPBCPMKXXNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-31-21-12-8-7-11-20(21)27-16-15-26(23(29)24(27)30)17-22(28)25-18(2)13-14-19-9-5-4-6-10-19/h4-12,15-16,18H,3,13-14,17H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 50928871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).