2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

C22H23N3O4 — CID 118727222

IUPAC2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C22H23N3O4/c1-15-10-16(2)12-17(11-15)13-25-21(27)8-9-24(22(25)28)14-20(26)23-18-6-4-5-7-19(18)29-3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyHBXVIZVIKRGRSH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.32
Rot. Bonds6

About 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 118727222) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID118727222
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C22H23N3O4/c1-15-10-16(2)12-17(11-15)13-25-21(27)8-9-24(22(25)28)14-20(26)23-18-6-4-5-7-19(18)29-3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyHBXVIZVIKRGRSH-UHFFFAOYSA-N
XLogP2.32
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755527
N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
CID 118727223
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604500
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 3827535
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755388
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 118727222) is 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O.
What is the InChIKey of 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HBXVIZVIKRGRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-10-16(2)12-17(11-15)13-25-21(27)8-9-24(22(25)28)14-20(26)23-18-6-4-5-7-19(18)29-3/h4-12H,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 118727222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).