2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide

C25H19N3O5 — CID 30935640

IUPAC2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19N3O5/c29-24(27-18-7-9-20(10-8-18)33-19-4-2-1-3-5-19)14-28-15-26-21(13-25(28)30)17-6-11-22-23(12-17)32-16-31-22/h1-13,15H,14,16H2,(H,27,29)
InChIKeyZZNJWPJOFFGZRU-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 30935640) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID30935640
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19N3O5/c29-24(27-18-7-9-20(10-8-18)33-19-4-2-1-3-5-19)14-28-15-26-21(13-25(28)30)17-6-11-22-23(12-17)32-16-31-22/h1-13,15H,14,16H2,(H,27,29)
InChIKeyZZNJWPJOFFGZRU-UHFFFAOYSA-N
XLogP4.07
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 30935532
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 50795706
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30935655
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 167948707
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 30935640) is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide is O=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is ZZNJWPJOFFGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c29-24(27-18-7-9-20(10-8-18)33-19-4-2-1-3-5-19)14-28-15-26-21(13-25(28)30)17-6-11-22-23(12-17)32-16-31-22/h1-13,15H,14,16H2,(H,27,29).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 441.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 30935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).