1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea

C21H22N4O4 — CID 53118262

IUPAC1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nccn(-c3ccc(OCC)cc3)c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-17-9-5-15(6-10-17)23-21(27)24-19-20(26)25(14-13-22-19)16-7-11-18(12-8-16)29-4-2/h5-14H,3-4H2,1-2H3,(H2,22,23,24,27)
InChIKeyJADAEJPSWMIVJT-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea

1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea (PubChem CID 53118262) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
PubChem CID53118262
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nccn(-c3ccc(OCC)cc3)c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-17-9-5-15(6-10-17)23-21(27)24-19-20(26)25(14-13-22-19)16-7-11-18(12-8-16)29-4-2/h5-14H,3-4H2,1-2H3,(H2,22,23,24,27)
InChIKeyJADAEJPSWMIVJT-UHFFFAOYSA-N
XLogP3.67
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18579419
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea (CID 53118262) is 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea is CCOc1ccc(NC(=O)Nc2nccn(-c3ccc(OCC)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The InChIKey is JADAEJPSWMIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-28-17-9-5-15(6-10-17)23-21(27)24-19-20(26)25(14-13-22-19)16-7-11-18(12-8-16)29-4-2/h5-14H,3-4H2,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea?
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea has a molecular weight of 394.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea is sourced from PubChem (CID 53118262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).