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

C20H17N3O4 — CID 30935532

IUPAC2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(-c3ccc4c(c3)OCO4)cc2=O)c1
InChIInChI=1S/C20H17N3O4/c1-13-3-2-4-15(7-13)22-19(24)10-23-11-21-16(9-20(23)25)14-5-6-17-18(8-14)27-12-26-17/h2-9,11H,10,12H2,1H3,(H,22,24)
InChIKeyRMSIVIHIFJBNHV-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.59
Rot. Bonds4

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

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 30935532) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID30935532
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(-c3ccc4c(c3)OCO4)cc2=O)c1
InChIInChI=1S/C20H17N3O4/c1-13-3-2-4-15(7-13)22-19(24)10-23-11-21-16(9-20(23)25)14-5-6-17-18(8-14)27-12-26-17/h2-9,11H,10,12H2,1H3,(H,22,24)
InChIKeyRMSIVIHIFJBNHV-UHFFFAOYSA-N
XLogP2.59
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 30935640
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30935655
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838983
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53157324
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 7206319

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 30935532) is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cnc(-c3ccc4c(c3)OCO4)cc2=O)c1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is RMSIVIHIFJBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13-3-2-4-15(7-13)22-19(24)10-23-11-21-16(9-20(23)25)14-5-6-17-18(8-14)27-12-26-17/h2-9,11H,10,12H2,1H3,(H,22,24).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 30935532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).