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

C21H19N3O5 — CID 51370618

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H19N3O5/c1-13-9-20(26)24(21(22-13)14-3-6-16(27-2)7-4-14)11-19(25)23-15-5-8-17-18(10-15)29-12-28-17/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyGQCFDLFSWGZHDF-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.59
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51370618) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51370618
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H19N3O5/c1-13-9-20(26)24(21(22-13)14-3-6-16(27-2)7-4-14)11-19(25)23-15-5-8-17-18(10-15)29-12-28-17/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyGQCFDLFSWGZHDF-UHFFFAOYSA-N
XLogP2.59
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370568
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 91887523
N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20852382
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333343
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368774
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2038811
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide
CID 20852378

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51370618) is N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is GQCFDLFSWGZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-13-9-20(26)24(21(22-13)14-3-6-16(27-2)7-4-14)11-19(25)23-15-5-8-17-18(10-15)29-12-28-17/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 393.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).