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

C23H21N5O5 — CID 53062913

IUPACN-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
SMILESCOc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3OC)c2=O)c1
InChIInChI=1S/C23H21N5O5/c1-32-16-7-5-6-15(12-16)13-28-22(30)20-21(25-11-10-24-20)27(23(28)31)14-19(29)26-17-8-3-4-9-18(17)33-2/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyZNLMMVLDHSWFHJ-UHFFFAOYSA-N
MW447.45 g/mol
LogP1.66
Rot. Bonds7

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

N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide (PubChem CID 53062913) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
PubChem CID53062913
Molecular FormulaC23H21N5O5
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
SMILESCOc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3OC)c2=O)c1
InChIInChI=1S/C23H21N5O5/c1-32-16-7-5-6-15(12-16)13-28-22(30)20-21(25-11-10-24-20)27(23(28)31)14-19(29)26-17-8-3-4-9-18(17)33-2/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyZNLMMVLDHSWFHJ-UHFFFAOYSA-N
XLogP1.66
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
CID 53062897
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
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53062744
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
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-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 53153031
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide (CID 53062913) is N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide is COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3OC)c2=O)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide?
The InChIKey is ZNLMMVLDHSWFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-32-16-7-5-6-15(12-16)13-28-22(30)20-21(25-11-10-24-20)27(23(28)31)14-19(29)26-17-8-3-4-9-18(17)33-2/h3-12H,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide has a molecular weight of 447.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide is sourced from PubChem (CID 53062913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).