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

C23H21N5O4 — CID 53062897

IUPAC2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3C)c2=O)c1
InChIInChI=1S/C23H21N5O4/c1-15-6-3-4-9-18(15)26-19(29)14-27-21-20(24-10-11-25-21)22(30)28(23(27)31)13-16-7-5-8-17(12-16)32-2/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyFPFXTKAEWZNWOA-UHFFFAOYSA-N
MW431.45 g/mol
LogP1.96
Rot. Bonds6

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

2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 53062897) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID53062897
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3C)c2=O)c1
InChIInChI=1S/C23H21N5O4/c1-15-6-3-4-9-18(15)26-19(29)14-27-21-20(24-10-11-25-21)22(30)28(23(27)31)13-16-7-5-8-17(12-16)32-2/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyFPFXTKAEWZNWOA-UHFFFAOYSA-N
XLogP1.96
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062913
N-(3,4-difluorophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062899
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062932
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53062744
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53062858
methyl 2-(3-benzyl-2,4-dioxopteridin-1-yl)acetate
CID 95917303
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53062944
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
ethyl 2-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopteridin-1-yl]acetyl]amino]benzoate
CID 27371875
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53062752

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide (CID 53062897) is 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide is COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3C)c2=O)c1.
What is the InChIKey of 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is FPFXTKAEWZNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-15-6-3-4-9-18(15)26-19(29)14-27-21-20(24-10-11-25-21)22(30)28(23(27)31)13-16-7-5-8-17(12-16)32-2/h3-12H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 431.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53062897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).