1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione

C16H21N3O2 — CID 62929078

IUPAC1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(Cn1ccn(C)c(=O)c1=O)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-12(2)6-8-13)11-19-10-9-18(3)15(20)16(19)21/h5-10,14,17H,4,11H2,1-3H3
InChIKeyZGTYZEPSORHRNV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione

1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62929078) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID62929078
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(Cn1ccn(C)c(=O)c1=O)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-12(2)6-8-13)11-19-10-9-18(3)15(20)16(19)21/h5-10,14,17H,4,11H2,1-3H3
InChIKeyZGTYZEPSORHRNV-UHFFFAOYSA-N
XLogP1.21
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
CID 80580469
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
CID 62928561
1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
CID 103935365
4-[2-(ethylamino)-2-(4-methylphenyl)ethyl]morpholin-3-one
CID 79468530
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
CID 63172375
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579653
1-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyridin-2-one
CID 62962661
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
CID 107506199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione (CID 62929078) is 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione is CCNC(Cn1ccn(C)c(=O)c1=O)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is ZGTYZEPSORHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-12(2)6-8-13)11-19-10-9-18(3)15(20)16(19)21/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62929078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).