N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

C21H21N3O4 — CID 50755527

IUPACN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C21H21N3O4/c1-15-7-9-16(10-8-15)13-23-12-11-20(26)24(21(23)27)14-19(25)22-17-5-3-4-6-18(17)28-2/h3-12H,13-14H2,1-2H3,(H,22,25)
InChIKeyGSFIDWUKWHDUSG-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.01
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (PubChem CID 50755527) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
PubChem CID50755527
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C21H21N3O4/c1-15-7-9-16(10-8-15)13-23-12-11-20(26)24(21(23)27)14-19(25)22-17-5-3-4-6-18(17)28-2/h3-12H,13-14H2,1-2H3,(H,22,25)
InChIKeyGSFIDWUKWHDUSG-UHFFFAOYSA-N
XLogP2.01
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 118727222
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
N-(2-methoxyphenyl)-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841469
1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604500
1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 50755479
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 9276978

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (CID 50755527) is N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is COc1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The InChIKey is GSFIDWUKWHDUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15-7-9-16(10-8-15)13-23-12-11-20(26)24(21(23)27)14-19(25)22-17-5-3-4-6-18(17)28-2/h3-12H,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50755527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).